Benzenepropanoic acid, alpha-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-4-(trifluoromethyl)-, (alphaR)-
Basic information
- CAS
1260609-42-4- Standard SMILES
O=C(NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
NABRFPLQNLUKGZ-QGZVFWFLSA-N- Molecular formula
- C26H22F3NO4
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.15009267
Names & identifiers
- Preferred name
- Benzenepropanoic acid, alpha-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-4-(trifluoromethyl)-, (alphaR)-
- IUPAC
- (2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acid
Names & synonyms
1260609-42-4Benzenepropanoic acid, alpha-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-4-(trifluoromethyl)-, (alphaR)-(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-(trifluoromethyl)benzyl)propanoic acid(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acidDTXSID101112568(2R)-2-[({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acidBenzenepropanoic acid, I+/--[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-4-(trifluoromethyl)-, (I+/-R)-
Database identifiers
- CAS
1260609-42-4- PubChem CID
- 72209136
- DTXSID
DTXSID101112568
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…