Molecule ID: 736190

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

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which the meta-hydrogen of the phenyl group has been replaced by a chlorine. It is a chloroamino acid, a non-proteinogenic L-alpha-amino acid, a member of monochlorobenzenes and a L-phenylalanine derivative.

SMILES: N[C@@H](Cc1ccc(Cl)cc1)C(=O)O

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

InChI: InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -0.5