Basic information
- Standard SMILES
COC(=O)C1CC(C(=O)NC2CC2c2ccccc2)CN1C(=O)OCc1ccccc1- InChIKey
BGNDPRDRFHKYPU-UHFFFAOYSA-N- Molecular formula
- C24H26N2O5
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-Phenyl-cyclopropylcarbamoyl)-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
- IUPAC
- 1-O-benzyl 2-O-methyl 4-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL4802901BGNDPRDRFHKYPU-UHFFFAOYSA-N4-(2-phenyl-cyclopropylcarbamoyl)-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
Database identifiers
- PubChem CID
- 69197387
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
2 records
Compound notes
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