Molecule ID: 228821

IUPAC Name: 2-amino-3-(2,4,6-trimethylphenyl)propanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is phenylalanine in which the phenyl ring is methylated at positions 2, 4 and 6. It is a phenylalanine derivative and a non-proteinogenic alpha-amino acid.

SMILES: Cc1cc(C)c(CC(N)C(=O)O)c(C)c1

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

InChI: InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -0.3