Molecule ID: 92207220

IUPAC Name: (2S)-2-amino-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-tyrosine in which the hydrogens at positions 2 and 3 as well as the phenolic hydrogen are replaced by methyl groups. It is an O,2,3-trimethyltyrosine, a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid. It is an enantiomer of a D-O,2,3-trimethyltyrosine.

SMILES: COc1ccc(C[C@H](N)C(=O)O)c(C)c1C

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

InChI: InChI=1S/C12H17NO3/c1-7-8(2)11(16-3)5-4-9(7)6-10(13)12(14)15/h4-5,10H,6,13H2,1-3H3,(H,14,15)/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 72.6 Ų
- LogP: -0.7