3-[rel-(3aR,7aR)-2-(3-hydroxypropyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]benzoic acid
Chemical Structure Depiction of
3-[rel-(3aR,7aR)-2-(3-hydroxypropyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]benzoic acid
3-[rel-(3aR,7aR)-2-(3-hydroxypropyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | S839-0179 |
| Compound Name: | 3-[rel-(3aR,7aR)-2-(3-hydroxypropyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]benzoic acid |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C21 H26 N4 O5 |
| Smiles: | Cc1nc([C@]23CN(CCCO)C[C@@H]3CCN(C2)C(c2cccc(c2)C(O)=O)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7748 |
| logD: | 0.7748 |
| logSw: | -1.3844 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.118 |
| InChI Key: | KKRFFADLVAWEHW-UWJYYQICSA-N |