Molecule ID: 36688091

IUPAC Name: (2S)-5-[amino-(hydroxyamino)methylidene]azaniumyl-2-azaniumylpentanoate

Description: The molecule is conjugate acid of N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine having an anionic carboxy group and protonated amiino and guanidino groups. It is the principal microspecies present at pH 7.3. It is a conjugate acid of a N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine.

SMILES: N=C(NO)NCCC[C@H]([NH3+])C(=O)O

SELFIES: [N][=C][Branch1][Ring1][N][O][N][C][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/p+1/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -3.6