Basic information
- Standard SMILES
N#CC1CC(F)CN1C(=O)CNC12CCC(C(=O)O)(CC1)CC2- InChIKey
RELUANRKGHURLL-UHFFFAOYSA-N- Molecular formula
- C16H22FN3O3
- Average molar mass
- 323.36 g/mol
Names & identifiers
- Preferred name
- 4-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
- IUPAC
- 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
Database identifiers
- PubChem CID
- 23149673
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 546
Related reactions
90 records
Compound notes
Loading…