Molecule ID: 25200992

IUPAC Name: (2S,5S)-5-(carboxylatomethyl)pyrrolidin-1-ium-2-carboxylate

Description: The molecule is an alpha-amino-acid anion that is the conjugate base of (2S,5S)-5-carboxymethylproline, obtained by deprotonation of the two carboxy groups and protonation of the endocyclic amino group. It is a conjugate base of a (5S)-5-(carboxymethyl)-L-proline.

SMILES: O=C([O-])C[C@@H]1CC[C@@H](C(=O)O)N1

SELFIES: [O][=C][Branch1][C][O-1][C][C@@H1][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][Branch2]

InChI: InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/p-1/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -1.5