Molecule ID: 45093216

IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid

Description: The molecule is a tyrosine derivative that is L-tyrosine in which the hydrogens at positions 3 and 5 on the phenyl ring are replaced by a methyl and hydroxy groups respectively. It is a member of catechols and a L-tyrosine derivative. It is a tautomer of a 5-hydroxy-3-methyl-L-tyrosine zwitterion.

SMILES: Cc1cc(C[C@H](N)C(=O)O)cc(O)c1O

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

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

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -1.8