Molecule ID: 439771

IUPAC Name: (2S)-2-amino-3-chloropropanoic acid

Description: The molecule is a 3-chloroalanine that has S configutation at the chiral centre. It has a role as an EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor. It is a D-alanine derivative and a 3-chloroalanine. It is an enantiomer of a 3-chloro-L-alanine. It is a tautomer of a 3-chloro-D-alanine zwitterion.

SMILES: N[C@H](CCl)C(=O)O

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

InChI: InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -2.8