butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate
Chemical Structure Depiction of
butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate
butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate
Compound characteristics
| Compound ID: | 8014-1569 |
| Compound Name: | butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate |
| Molecular Weight: | 252.31 |
| Molecular Formula: | C13 H20 N2 O3 |
| Smiles: | CCCCOC(C1C(C#N)(C2CCN1CC2)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5042 |
| logD: | 1.5034 |
| logSw: | -1.1819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.281 |
| InChI Key: | NYHNBIBTPQVROL-UHFFFAOYSA-N |