Acetic acid, 2-amino-2-oxo-, sodium salt (1:1)

CAS 565-73-1  ·  C₂H₂NNaO₃  ·  MW 111.03 g/mol

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3D model Acetic acid, 2-amino-2-oxo-, sodium salt (1:1), CAS 565-73-1, molecular formula C₂H₂NNaO₃, molar mass 111.03 g/mol
About Acetic acid, 2-amino-2-oxo-, sodium salt (1:1)

Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) is a chemical compound registered under number CAS 565-73-1, with the molecular formula C₂H₂NNaO₃, and a molar mass of 111.03 g/mol.

The molecule contains 9 atoms connected by 8 chemical bonds. The full systematic IUPAC name of this compound is sodium oxamate. 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 = 83.2 Ų, 1 donors and 3 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 formulaC₂H₂NNaO₃
Molar mass111.03 g/mol
IUPACsodium oxamate
SMILESC(=O)(C(=O)[O-])N.[Na+]
InChIKeyRQVZIJIQDCGIKI-UHFFFAOYSA-M
logP (XLogP3)—
PSA83.2 Ų
HBD / HBA1 / 3
PubChem CIDCID 5242 ↗
Scientific literature

Brak articles naukowych dla CAS 565-73-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
565-73-1 · Oxamic acid, sodium salt · Acetic acid, aminooxo-, monosodium salt · EINECS 209-290-5 · Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) · RefChem:552125 · sodium oxamate · Oxamic acid sodium salt · Sodium 2-amino-2-oxoacetate · Aminooxoacetic acid sodium salt · sodium;oxamate · Oxamic acid (sodium) · MFCD00044553 · Oxamate (sodium) · sodium amino(oxo)acetate
Data sources
Related molecules
📜 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 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
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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/5242
  8. 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)
Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) (CAS 565-73-1), C₂H₂NNaO₃ - 3D ball-and-stick molecular model, engraved element symbols (C H N Na O), MolGod STL previewDownload image

MG-STL-565-73-1-ENGRAVED · 153,224 △ · 7 MB · SHA-256 be6039860548dd64

Download 3D model · ENGRAVED · C H N Na O

Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) (CAS 565-73-1), C₂H₂NNaO₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-565-73-1-NORMAL · 3,744 △ · 183 KB · SHA-256 a844f24a4d631fa4

Download 3D model

Model
Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) · 565-73-1
InChIKey
RQVZIJIQDCGIKI-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) (CAS 565-73-1)
License & provenance record
Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) (CAS 565-73-1) →
MolGod molecule record
Acetic acid, 2-amino-2-oxo-, sodium salt (1:1) →
Source data
PubChem CID 5242 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
a844f24a4d631fa4d4663ddd34710974eb76a6708d2809a51f2bcfc4ae7bc679
MD5 (STL)
538761b321a545083345ddca892c4f58
Model identifier
MG-STL-565-73-1
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

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

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