Molecule ID: 86290105

IUPAC Name: 2-[N-(2-methoxyethyl)-2,6-dimethylanilino]-2-oxoacetic acid

Description: The molecule is a monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It has a role as a marine xenobiotic metabolite. It is a monocarboxylic acid, an aromatic amide and an ether.

SMILES: COCCN(C(=O)C(=O)O)c1c(C)cccc1C

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

InChI: InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.8