Molecule ID: 6931523

IUPAC Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tyrosine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion and a monocarboxylic acid anion. It is a conjugate base of a N-acetyl-L-tyrosine.

SMILES: CC([O-])=N[C@@H](Cc1ccc(O)cc1)C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][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)/p-1/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 0.4