Molecule ID: 70678630

IUPAC Name: (2S)-2-azaniumyl-4-(3-azaniumylpropylazaniumyl)butanoate

Description: The molecule is the alpha-amino-acid cation formed from carboxynorspermidine by zwitterion formation between the carboxy and alpha-amino groups and protonation of the nitrogen atoms at positions 5 and 9; the major structure of carboxynorspermidine at pH 7.3. It is a conjugate acid of a carboxynorspermidine.

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

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

InChI: InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+2/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -3.4