Basic information
- Standard SMILES
COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2C(=O)OC(C)(C)C)cc1- InChIKey
STDMMEMNTZAJLX-PWRODBHTSA-N- Molecular formula
- C24H30N2O5
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[4-(methoxycarbonyl)benzyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL12835898STDMMEMNTZAJLX-PWRODBHTSA-NTert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[4-(methoxycarbonyl)benzyl]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 68396456
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 612
Related reactions
4 records
Compound notes
Loading…