N-[rel-(3R,4S)-1-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | S823-4114 |
| Compound Name: | N-[rel-(3R,4S)-1-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C15 H18 N2 O5 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1CO)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4335 |
| logD: | -0.4335 |
| logSw: | -1.7396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.857 |
| InChI Key: | YYWSGGVBRNAJMZ-NWDGAFQWSA-N |