chempirical

3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid

C10H10F3NO2CAS 143438-91-9233.19 g/mol

Open in Covalent MOL file
FFFOOHNH2
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C10H10F3NO2
Molar mass
233.19 g/mol
Exact mass
233.0664 Da
logP
2.18Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
143438-91-9
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(CC(=O)O)N
InChIKey
WZXBASRNQXYUIP-UHFFFAOYSA-N
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

β-Amino-3-fluorobenzenepropanoic acid117391-51-267 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-263 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-963 % similar Dl-beta-(3-bromophenyl)alanine117391-50-161 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-960 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-860 % similar 3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-557 % similar β-Amino-3-nitrobenzenepropanoic acid5678-47-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Trifluoromethyl)-D-phenylalanine114872-99-0 4-(Trifluoromethyl)-L-phenylalanine114926-38-4 4-(Trifluoromethyl)phenylalanine14091-16-8 D-3-Trifluoromethylphenylalanine14464-67-6 3-Trifluoromethyl-L-phenylalanine14464-68-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook