Molecule ID: 138453916

IUPAC Name: (2S)-6-amino-2-azaniumyl-4-chlorohexanoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-chloro-L-lysine It is a conjugate base of a 4-chloro-L-lysinium. It is a tautomer of a 4-chloro-L-lysine.

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: 93.8 Ų
- LogP: -2.3