Basic information
- CAS
585-05-7- Standard SMILES
NC(=O)NC(=O)C(=O)O- InChIKey
UWBHMRBRLOJJAA-UHFFFAOYSA-N- Molecular formula
- C3H4N2O4
- Average molar mass
- 132.08 g/mol
- Monoisotopic mass
- 132.01710661
Overview
Oxaluric acid is a 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom. It has a role as an Escherichia coli metabolite. It is a 2-oxo monocarboxylic acid and a member of ureas. It is a conjugate acid of an oxalurate.
Names & identifiers
- Preferred name
- Oxaluric acid
- IUPAC
- 2-(carbamoylamino)-2-oxoacetic acid
- English name
- 3-Oxaluric acid
- Molecular formula
- C3H4N2O4
- Molecular weight
- 132.07
Names & synonyms
Oxaluric acid585-05-7oxalureate2-(carbamoylamino)-2-oxoacetic acidMonooxalylureaureido(oxo)acetic acidcarbamoylamino(oxo)acetic acidCHEBI:16582DTXSID00207214RefChem:928344DTXCID001297052-hydroxy-2-((C-hydroxycarbonimidoyl)imino)acetic acid
Show more names
oxaluricaciUreidooxoacetic acidCarbamoyloxamic acid2-keto-2-ureido-acetic acid
2-oxo-2-ureidoacetic acid(carbamoylamino)(oxo)acetic acid3-Oxaluric acidMFCD00047871Acetic acid, [(aminocarbonyl)amino]oxo-oxaluricacidN-OxaroureaOxalic monoureide
Database identifiers
- CAS
585-05-7- PubChem CID
- 456
- DTXSID
DTXSID00207214- ChEBI
CHEBI:16582- Nikkaji
- J2.677H
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Density
- 1.663 · 1.663±0.06 g/cm3(Predicted)
- pka
- 1.22 · 1.22±0.20(Predicted)
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
Additional notes
DefinitionChEBI: A 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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