rel-(3aR,6aS)-2-(3-methoxypropyl)-5-(prop-2-ynoyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
rel-(3aR,6aS)-2-(3-methoxypropyl)-5-(prop-2-ynoyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
rel-(3aR,6aS)-2-(3-methoxypropyl)-5-(prop-2-ynoyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | T001-0601 |
| Compound Name: | rel-(3aR,6aS)-2-(3-methoxypropyl)-5-(prop-2-ynoyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 264.28 |
| Molecular Formula: | C13 H16 N2 O4 |
| Smiles: | COCCCN1C([C@@H]2CN(C[C@@H]2C1=O)C(C#C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8924 |
| logD: | -0.8924 |
| logSw: | -0.6969 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.709 |
| InChI Key: | GSYPAJUEGGZJKV-UWVGGRQHSA-N |