Molecule ID: 155385

IUPAC Name: 2-oxo-2-(N-propan-2-ylanilino)acetic acid

Description: The molecule is a monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has a role as a marine xenobiotic metabolite. It is an anilide and a monocarboxylic acid.

SMILES: CC(C)N(C(=O)C(=O)O)c1ccccc1

SELFIES: [C][C][Branch1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 2.0