1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0399 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C17 H25 N3 O5 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(c1c(COC)c(C)on1)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5023 |
| logD: | -0.5023 |
| logSw: | 0.0405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.94 |
| InChI Key: | XHQLSNUXLXINPY-CXAGYDPISA-N |