Molecule ID: 25203330

IUPAC Name: (2S)-5-[[amino(dimethylazaniumylidene)methyl]amino]-2-azaniumylpentanoate

Description: The molecule is an alpha-amino-acid cation that is the conjugate acid of N(omega),N(omega)-dimethyl-L-arginine, arising from deprotonation of the carboxy group and protonation of the primary amino and imino groups; major species at pH 7.3. It is a conjugate acid of a N(omega),N(omega)-dimethyl-L-arginine.

SMILES: CN(C)C(=[NH2+])[N-]CCC[C@H]([NH3+])C(=O)O

SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=NH2+1][N-1][C][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H3,10,11,13,14)/p+1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -3.2