Molecule ID: 440443

IUPAC Name: [3-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-1-carboxypropyl]-methylazanium

Description: The molecule is an ammonium ion that is a derivative of L-histidine having a 3-carboxy-3-(methylammonio)propyl group at the 2-position on the imidazole ring. It is a conjugate acid of a 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion.

SMILES: CNC(CCc1ncc(C[C@H]([NH3+])C(=O)O)[nH]1)C(=O)O

SELFIES: [C][N][C][Branch2][Ring1][=Branch1][C][C][C][=N][C][=C][Branch1][O][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O][NH1][Ring1][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: -5.7