4-(Phenylmethyl) hydrogen L-aspartate

CAS 2177-63-1  ·  C11H13NO4  ·  MW 223.22 g/mol

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3D model 4-(Phenylmethyl) hydrogen L-aspartate, CAS 2177-63-1, molecular formula C11H13NO4, molar mass 223.22 g/mol
About 4-(Phenylmethyl) hydrogen L-aspartate

4-(Phenylmethyl) hydrogen L-aspartate is a chemical compound registered under number CAS 2177-63-1, with the molecular formula C11H13NO4, and a molar mass of 223.22 g/mol.

The molecule contains 29 atoms connected by 29 chemical bonds. The full systematic IUPAC name of this compound is (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid. 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, the partition coefficient logP = -2 (negative value, a hydrophilic compound), polar surface area PSA = 89.6 Ų, 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 formulaC11H13NO4
Masa molowa223.22 g/mol
IUPAC(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
SMILESC1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)N
InChIKeyVGALFAWDSNRXJK-VIFPVBQESA-N
logP (XLogP3)-2
PSA89.6 Ų
HBD / HBA2 / 5
PubChem CIDCID 101186 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

12 articles · 10 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (12 articles)

2005: 2 articles20052010: 1 articles2012: 1 articles2015: 1 articles2017: 1 articles20172019: 2 articles2020: 1 articles2025: 1 articles2026: 2 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
4-(Phenylmethyl) hydrogen L-aspartate (CAS 2177-63-1), C11H13NO4 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewPobierz obraz

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4-(Phenylmethyl) hydrogen L-aspartate (CAS 2177-63-1), C11H13NO4 - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

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Model
4-(Phenylmethyl) hydrogen L-aspartate · 2177-63-1
InChIKey
VGALFAWDSNRXJK-VIFPVBQESA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 4-(Phenylmethyl) hydrogen L-aspartate (CAS 2177-63-1)
License & provenance record
4-(Phenylmethyl) hydrogen L-aspartate (CAS 2177-63-1) →
MolGod molecule record
4-(Phenylmethyl) hydrogen L-aspartate →
Source data
PubChem CID 101186 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
9ada6c46b8bc421be4a48948907c9dd27be97f33d966bf3bc939b937d21c23ef
MD5 (STL)
6ca2c2c9fae023458b43f4953a4c1adc
MolGod Identification Number
MG_427-622-353-40
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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