Basic information
- Standard SMILES
CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2ccccc2Br)N(C(=O)OCc2ccccc2)C1- InChIKey
BETCDXCQKDUZDM-XLIONFOSSA-N- Molecular formula
- C23H27BrN2O4
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 474.11542
Names & identifiers
- Preferred name
- (2S,4R)-2-(2-bromo-phenylcarbamoyl)-4-tert-butoxy-pyrrolidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl (2S,4R)-2-[(2-bromophenyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL15211652BETCDXCQKDUZDM-XLIONFOSSA-N(2S,4R)-2-(2-bromo-phenylcarbamoyl)-4-tert-butoxy-pyrrolidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 89768141
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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