Betonicine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1373466 | |
| PubChem: | 6604261 | |
| IUPAC: | (2R,4S)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate | |
| Standard 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+/m0/s1 | |
| Standard InChI Key: | MUNWAHDYFVYIKH-NTSWFWBYSA-N | |
| SMILES: | O[C@H]1C[C@@H]([N+](C1)(C)C)C(=O)[O-] | |
Molecular propeties
| ||
| AlogP: | -2.05 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 159.09 | |
| Topological polar surface area: | 60.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |