Benzoic acid, 3-[[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)-1-piperidinyl]methyl]-
Basic information
- CAS
1391457-12-7- Standard SMILES
N[C@H]1CN(Cc2cccc(C(=O)O)c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F- InChIKey
PCHOLKNPHFNIIG-DYVFJYSZSA-N- Molecular formula
- C19H17F3N2O3
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 378.11912689
Names & identifiers
- Preferred name
- Benzoic acid, 3-[[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)-1-piperidinyl]methyl]-
- IUPAC
- 3-[[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)piperidin-1-yl]methyl]benzoic acid
Names & synonyms
DTXSID501124450AKOS027470334Benzoic acid, 3-[[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)-1-piperidinyl]methyl]-1391457-12-73-{[(4R,5R)-5-Amino-2-oxo-4-(2,4,5-trifluorophenyl)piperidin-1-yl]methyl}benzoic acid
Database identifiers
- CAS
1391457-12-7- PubChem CID
- 56932101
- DTXSID
DTXSID501124450
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…