Molecule ID: 164642

IUPAC Name: (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

Description: The molecule is an amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. It has a role as a plant metabolite. It is an amino-acid betaine, a secondary alcohol and a pyrrolidine alkaloid. It derives from a trans-4-hydroxy-L-proline zwitterion.

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

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

InChI: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 0.1