Molecule ID: 794

IUPAC Name: 3-(1H-imidazol-5-yl)-2-oxopropanoic acid

Description: The molecule is an oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It is a member of imidazoles, an oxo carboxylic acid and a monocarboxylic acid. It derives from a pyruvic acid. It is a conjugate acid of a 3-(imidazol-5-yl)pyruvate.

SMILES: O=C(O)C(=O)Cc1cnc[nH]1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H6N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3H,1H2,(H,7,8)(H,10,11)

Molecular Properties:
- Polar Surface Area: 83.0 Ų
- LogP: -0.6