Molecule ID: 115244

IUPAC Name: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

Description: The molecule is an amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. It has a role as a food component, a plant metabolite and a human blood serum metabolite. It is a N-methyl-L-alpha-amino acid, an alkaloid and an amino-acid betaine. It derives from a L-prolinium. It is a conjugate base of a N,N-dimethyl-L-prolinium. It is an enantiomer of a D-proline betaine.

SMILES: C[N+]1(C)CCC[C@H]1C(=O)[O-]

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

InChI: InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 1.0