Molecule ID: 36688062

IUPAC Name: (2S)-2-azaniumyl-6-oxohexanoate

Description: The molecule is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-allysine; major species at pH 7.3. It is a tautomer of a L-allysine.

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

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

InChI: InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 84.8 Ų
- LogP: -2.6