rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-4714 |
| Compound Name: | rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 290.36 |
| Molecular Formula: | C16 H22 N2 O3 |
| Smiles: | Cc1cc(C)cc(c1)C(N1C[C@@H](CO)[C@@H](C1)C(NC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5109 |
| logD: | 0.5109 |
| logSw: | -1.8159 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.07 |
| InChI Key: | JPZXLPOIKPPPBU-UONOGXRCSA-N |