Glutamic acid diethyl ester hydrochloride

CAS 1118-89-4 · C₉H₁₇NO₄·HCl · MW 239.69 g/mol

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2D structure

About Glutamic acid diethyl ester hydrochloride

Glutamic acid diethyl ester hydrochloride is a chemical compound registered under number CAS 1118-89-4, with the molecular formula C₉H₁₇NO₄·HCl, and a molar mass of 239.69 g/mol.

The molecule contains 33 atoms connected by 31 chemical bonds. The full systematic IUPAC name of this compound is diethyl (2S)-2-aminopentanedioate;hydrochloride. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 78.6 Å², 2 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties

Molecular formula	C₉H₁₇NO₄·HCl
Molar mass	239.69 g/mol
IUPAC	diethyl (2S)-2-aminopentanedioate;hydrochloride
SMILES	`CCOC(=O)CC[C@@H](C(=O)OCC)N.Cl`
InChIKey	`WSEQLMQNPBNMSL-FJXQXJEOSA-N`
logP (XLogP3)	—
PSA	78.6 Å²
HBD / HBA	2 / 5
PubChem CID	CID 73960 ↗

GHS safety

Signal word: Warning

GHS09

Scientific literature

Related literature

2 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (number of articles: 2)

Bar height = number of articles in a given year. Hover over a bar to see details.

[Synthesis of diethyl N-[p-(methylamino)benzoyl]-L-glutamate].

Tian C, Zhou SX, Wang B et al. (2008) · Beijing da xue xue bao. Yi xue ban = Journal of Peking University. Health sciences

$ PaywallPubMed ↗

Glutamic acid and glutamic acid diethylester in tinnitus treatment.

Ehrenberger K, Brix R (1983) · Acta oto-laryngologica

$ PaywallDOI ↗PubMed ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

Glutamic acid diethyl ester hydrochloride · RefChem:151874 · 1118-89-4 · L-Glutamic acid diethyl ester hydrochloride · Diethyl L-glutamate hydrochloride · H-Glu(OEt)-OEt.HCl · diethyl (2S)-2-aminopentanedioate;hydrochloride · MFCD00012509 · L-GlutaMic acid diethyl ester HCl · (S)-Diethyl 2-aminopentanedioate hydrochloride · H-Glu(OEt)-OEt HCl · 1,5-DIETHYL (2S)-2-AMINOPENTANEDIOATE HYDROCHLORIDE · Diethyl L-glutaminate hydrochloride · EINECS 214-270-4 · NSC 12960

Data sources

📊 PubChem CID 73960 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Methanol (CAS 67-56-1) CAS 67-56-1 · CH4O Ammonia, anhydrous (CAS 7664-41-7) CAS 7664-41-7 · H3N 4,4'-oxydianiline and its salts (CAS 101-80-4) CAS 101-80-4 · C12H12N2O Potassium permanganate (CAS 7722-64-7) CAS 7722-64-7 · KMnO₄ 4,4'-diaminodiphenylmethane (CAS 101-77-9) CAS 101-77-9 · C13H14N2 Naphthalene (CAS 91-20-3) CAS 91-20-3 · C10H8

📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1

PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94+UFF force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references

RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/73960
Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)

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Glutamic acid diethyl ester hydrochloride (CAS 1118-89-4), C₉H₁₇NO₄·HCl - 3D ball-and-stick molecular model, engraved element symbols (C H N O Cl), MolGod STL preview

MG-STL-1118-89-4-ENGRAVED · 393,962 △ · 19 MB · SHA-256 6556c02920e69fa0

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Glutamic acid diethyl ester hydrochloride (CAS 1118-89-4), C₉H₁₇NO₄·HCl - 3D ball-and-stick molecular model, MolGod STL preview

MG-STL-1118-89-4-NORMAL · 13,728 △ · 670 KB · SHA-256 ad6ccad35bea4586

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Model: Glutamic acid diethyl ester hydrochloride · 1118-89-4
InChIKey: WSEQLMQNPBNMSL-FJXQXJEOSA-N
License: CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution: MolGod Scientific — Glutamic acid diethyl ester hydrochloride (CAS 1118-89-4)
License & provenance record: Glutamic acid diethyl ester hydrochloride (CAS 1118-89-4) →
MolGod molecule record: Glutamic acid diethyl ester hydrochloride →
Source data: PubChem CID 73960 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): ad6ccad35bea45861927178390a98e450669d7364bca7d0d0dd6c85ee3a0c5d9
MD5 (STL): a3f1e7b32d40477d2432f110ff2a3fe6
Model identifier: MG-STL-1118-89-4
Transformation: MolGod Scientific ball-and-stick mesh
Changes: PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons: not published yet

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