Basic information
- Standard SMILES
CC(C(=O)N1CCC[C@H]1C(=O)O)C(Br)C(=O)c1ccccc1F- InChIKey
LEHUBOCJRZHKAC-YHECAPGISA-N- Molecular formula
- C16H17BrFNO4
- Average molar mass
- 386.21 g/mol
- Monoisotopic mass
- 385.0325
Names & identifiers
- Preferred name
- 1-[3-bromo-3-(fluorobenzoyl)-2-methylpropionyl]-L-proline
- IUPAC
- (2S)-1-[3-bromo-4-(2-fluorophenyl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
LEHUBOCJRZHKAC-YHECAPGISA-N1-[3-bromo-3-(fluorobenzoyl)-2-methylpropionyl]-L-proline
Database identifiers
- PubChem CID
- 54029099
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
Related reactions
1 records
Compound notes
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