(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid

C₈H₁₂F₃NO₃CAS 666832-71-9227.18 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carboxylic acid

Properties

Molecular formula: C₈H₁₂F₃NO₃
Molar mass: 227.18 g/mol
Exact mass: 227.0769 Da
logP: 1.16Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin 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

666832-71-9

SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F

InChIKey

FCTPLAZWXGEGKO-SCSAIBSYSA-N

InChI

InChI=1S/C8H12F3NO3/c1-7(2,3)4(5(13)14)12-6(15)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m1/s1

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Names and synonyms

1 names

L-Valine, 3-methyl-N-(trifluoroacetyl)- (9ci)

Work with (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic 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

Boc-D-alpha-T-butylglycine124655-17-051 % similar Cbz-L-tert-leucine62965-10-042 % similar N-(Trifluoroacetyl)aminoacetic acid383-70-039 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-739 % similar L-tert-Leucine20859-02-339 % similar D-tert-Leucine26782-71-839 % similar tert-Leucine33105-81-639 % similar Trifluoroacetohydrazide1538-08-538 % similar

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

Elsewhere

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