Molecule ID: 9307

IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

Description: The molecule is a L-tyrosine derivative that is the 3-methoxy derivative of L-dopa. It has a role as a human metabolite. It is a L-tyrosine derivative, a monomethoxybenzene and a non-proteinogenic L-alpha-amino acid. It derives from a L-dopa. It is a tautomer of a 3-O-methyldopa zwitterion.

SMILES: COc1cc(C[C@H](N)C(=O)O)ccc1O

SELFIES: [C][O][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][C][=C][Ring1][N][O]

InChI: InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: -2.4