rel-(3R,4R)-N-(cyanomethyl)-4-(methoxymethyl)-1-(pyrimidin-2-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-(cyanomethyl)-4-(methoxymethyl)-1-(pyrimidin-2-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-N-(cyanomethyl)-4-(methoxymethyl)-1-(pyrimidin-2-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-1789 |
| Compound Name: | rel-(3R,4R)-N-(cyanomethyl)-4-(methoxymethyl)-1-(pyrimidin-2-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 275.31 |
| Molecular Formula: | C13 H17 N5 O2 |
| Smiles: | COC[C@@H]1CN(C[C@H]1C(NCC#N)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0112 |
| logD: | -0.0112 |
| logSw: | -1.7739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.728 |
| InChI Key: | VJJSAPPJWUBTFU-MNOVXSKESA-N |