Boc-(R)-3-amino-4-(3-trifluoromethyl-phenyl)-butyric acid
Properties
- Molecular formula
- C16H20F3NO4
- Molar mass
- 347.33 g/mol
- Exact mass
- 347.1344 Da
- logP
- 3.62Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 5
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
269726-74-1SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)C(F)(F)F)CC(=O)OInChIKey
ATUJVGXTABSYTK-GFCCVEGCSA-NInChI
InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-5-4-6-11(7-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
Work with Boc-(R)-3-amino-4-(3-trifluoromethyl-phenyl)-butyric acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Boc-(R)-3-amino-4-(3-methyl-phenyl)-butyric acid269398-83-673 % similar
Boc-(S)-3-amino-4-(3-chloro-phenyl)-butyric acid270596-39-973 % similar
(S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-671 % similar
Boc-(R)-3-amino-4-(2-naphthyl)-butyric acid219297-10-668 % similar
Boc-(R)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid269396-59-068 % similar
Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid218608-97-066 % similar
Boc-(R)-3-amino-4-(4-fluoro-phenyl)-butyric acid218609-00-866 % similar
Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-964 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds