Molecule ID: 6994839

IUPAC Name: (2S,5R)-2,6-bis(azaniumyl)-5-hydroxyhexanoate

Description: The molecule is an alpha-amino-acid cation arising from deprotonation of the carboxy group and protonation of both amino groups of erythro-5-hydroxy-L-lysine; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate acid of an erythro-5-hydroxy-L-lysine.

SMILES: N[C@@H](CC[C@@H](O)C[NH3+])C(=O)O

SELFIES: [N][C@@H1][Branch1][=Branch2][C][C][C@@H1][Branch1][C][O][C][NH3+1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: -3.6