Molecule ID: 25201618

IUPAC Name: 2,5-bis(azaniumyl)hexanoate

Description: The molecule is the conjugate acid of 2,5-diaminohexanoic acid resulting from protonation of both amino groups and deprotonation of the carboxy group; major species at pH 7.3. It is an ammonium ion derivative and an amino-acid cation. It is a conjugate acid of a 2,5-diaminohexanoic acid.

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

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

InChI: InChI=1S/C6H14N2O2/c1-4(7)2-3-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/p+1

Molecular Properties:
- Polar Surface Area: 95.4 Ų
- LogP: -2.5