Molecule ID: 70678730

IUPAC Name: (2S)-2-azaniumyl-4-(4-azaniumylbutylazaniumyl)butanoate

Description: The molecule is the alpha-amino-acid cation formed from carboxyspermidine by zwitterion formation between the carboxy and alpha-amino groups and protonation of the nitrogen atoms at positions 5 and 10; the major structure of carboxyspermidine at pH 7.3. It is a conjugate acid of a carboxyspermidine.

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

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

InChI: InChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/p+2/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -3.0