Molecule ID: 3782988

IUPAC Name: 2-(2-aminophenyl)-2-oxoacetic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group. It has a role as a bacterial xenobiotic metabolite. It is a 2-oxo monocarboxylic acid and a substituted aniline. It derives from a glyoxylic acid. It is a conjugate acid of a 2-aminophenylglyoxylate.

SMILES: Nc1ccccc1C(=O)C(=O)O

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

InChI: InChI=1S/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: 1.1