(2S)-1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate
Representations & DB's id
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| ChEBI: | CHEBI:35280 | |
|---|---|---|
| ChEMBL: | CHEMBL1456892 | |
| PubChem: | 115244 | |
| IUPAC: | (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate | |
| Standard InChI: | InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 | |
| Standard InChI Key: | CMUNUTVVOOHQPW-LURJTMIESA-N | |
| SMILES: | [O-]C(=O)[C@@H]1CCC[N+]1(C)C | |
Molecular propeties
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| AlogP: | -1.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 143.09 | |
| Topological polar surface area: | 40.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |