Molecule ID: 159657

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

Description: The molecule is a tyrosine derivative that is L-tyrosine in which the hydrogen at position 3 on the phenyl ring is replaced by a methyl group. It is a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a 3-methyl-L-tyrosine zwitterion.

SMILES: Cc1cc(C[C@H](N)C(=O)O)ccc1O

SELFIES: [C][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/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -1.4