Basic information
- Standard SMILES
COc1ccccc1CNC(=O)c1cncc(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1- InChIKey
ACQVBBUAUFKZPT-BGYRXZFFSA-N- Molecular formula
- C25H32N4O4
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.24235551
Names & identifiers
- Preferred name
- (3aR,6aS)-tert-butyl 5-(5-(2-methoxybenzylcarbamoyl)pyridin-3-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
- IUPAC
- tert-butyl (3aR,6aS)-2-[5-[(2-methoxyphenyl)methylcarbamoyl]-3-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Names & synonyms
SCHEMBL2065904ACQVBBUAUFKZPT-BGYRXZFFSA-N(3aR,6aS)-tert-butyl 5-(5-(2-methoxybenzylcarbamoyl)pyridin-3-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 67265960
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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