Molecule ID: 87151576

IUPAC Name: (2S)-2,6-diamino-4-chlorohexanoic acid

Description: The molecule is an L-lysine derivative that is L-lysine substituted by a chloro group at position 4. It is a non-proteinogenic alpha-amino acid, an organochlorine compound and a L-lysine derivative. It is a tautomer of a 4-chloro-L-lysine zwitterion.

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

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

InChI: InChI=1S/C6H13ClN2O2/c7-4(1-2-8)3-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4?,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.3 Ų
- LogP: -2.9