Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1C(O)C(CCc1ccccc1)CCc1ccccc1- InChIKey
GYOFYPMETNHJMW-UHFFFAOYSA-N- Molecular formula
- C27H37NO3
- Average molar mass
- 423.6 g/mol
Names & identifiers
- Preferred name
- 2-(1-Hydroxy-2-phenethyl-4-phenyl-butyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[1-hydroxy-4-phenyl-2-(2-phenylethyl)butyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL5833831GYOFYPMETNHJMW-UHFFFAOYSA-N2-(1-Hydroxy-2-phenethyl-4-phenyl-butyl)-pyrroidine-1-carboxylic acid tert-butyl ester2-(1-Hydroxy-2-phenethyl-4-phenyl-butyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 21027770
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 509
Related reactions
3 records
Compound notes
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