Molecule ID: 20198297

IUPAC Name: 3-(2-aminophenyl)-3-oxopropanoic acid

Description: The molecule is a 3-oxo monocarboxylic acid that is benzoylacetic acid substituted at position 2 on the benzene ring by an amino group. It has a role as a bacterial metabolite. It is a 3-oxo monocarboxylic acid and a substituted aniline. It derives from a 3-phenylpropionic acid. It is a conjugate acid of a 2-aminobenzoylacetate.

SMILES: Nc1ccccc1C(=O)CC(=O)O

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

InChI: InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: 1.3