Molecule ID: 25244769

IUPAC Name: 2-azaniumyl-6-oxohexanoate

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

SMILES: NC(CCCC=O)C(=O)O

SELFIES: [N][C][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)

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