Molecule ID: 89216

IUPAC Name: 2-acetamido-3-(4-hydroxyphenyl)propanoic acid

Description: The molecule is an N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group. It has a role as a human urinary metabolite. It is a tyrosine derivative, a N-acetyl-amino acid and a member of phenols. It derives from a tyrosine.

SMILES: CC(O)=NC(Cc1ccc(O)cc1)C(=O)O

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

InChI: InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: -0.2