Molecule ID: 123868

IUPAC Name: 3-[(trimethylazaniumyl)amino]propanoate

Description: The molecule is an ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes. It has a role as a cardioprotective agent, a neuroprotective agent and an EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor.

SMILES: C[N+](C)(C)NCCC(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][N][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 52.2 Ų
- LogP: -2.1