[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](5-methyl-1,2-oxazol-3-yl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](5-methyl-1,2-oxazol-3-yl)methanone--hydrogen chloride (1/1)
[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](5-methyl-1,2-oxazol-3-yl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S996-0723 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](5-methyl-1,2-oxazol-3-yl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 343.85 |
| Molecular Formula: | C16 H25 N3 O3 |
| Salt: | HCl |
| Smiles: | CC(C)N1CC[C@@H]2CN(C[C@@]2(C1)CO)C(c1cc(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1574 |
| logD: | -2.1163 |
| logSw: | -1.4192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.181 |
| InChI Key: | WLQIGUXNXRMACN-CJNGLKHVSA-N |