Molecule ID: 94331

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

Description: The molecule is an L-tyrosine derivative in which the tyrosine skeleton is substituted with a methoxy group at C-3 of the phenyl ring and with a methyl group at the alpha carbon. It can also be regarded as a 3-O-methyl,alpha-methyl derivative of L-dopa. It derives from an alpha-methyl-L-dopa.

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

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

InChI: InChI=1S/C11H15NO4/c1-11(12,10(14)15)6-7-3-4-8(13)9(5-7)16-2/h3-5,13H,6,12H2,1-2H3,(H,14,15)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: -2.2