chempirical

N-Trifluoroacetyl-L-lysine N-carboxyanhydride

C9H11F3N2O4CAS 42267-27-6268.19 g/mol

Open in Covalent MOL file
OOOHNHNOFFF
Alkyl halideEsterLactone

Properties

Molecular formula
C9H11F3N2O4
Molar mass
268.19 g/mol
Exact mass
268.0671 Da
Melting point
92–93 °C (decomposes)
logP
1.51Crippen estimate
Polar surface area
91.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
42267-27-6
SMILES
O=C1OC(O)=N[C@H]1CCCCN=C(O)C(F)(F)F
InChIKey
KWNIHCJDDYRQFW-YFKPBYRVSA-N
InChI
InChI=1S/C9H11F3N2O4/c10-9(11,12)7(16)13-4-2-1-3-5-6(15)18-8(17)14-5/h5H,1-4H2,(H,13,16)(H,14,17)/t5-/m0/s1

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Names and synonyms

4 names
  • Acetamide, N-[4-[(4S)-2,5-dioxo-4-oxazolidinyl]butyl]-2,2,2-trifluoro-
  • Acetamide, N-[4-(2,5-dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoro-, (S)-
  • N-[4-[(4S)-2,5-Dioxo-4-oxazolidinyl]butyl]-2,2,2-trifluoroacetamide
  • Nε-Trifluoroacetyl-L-lysine N-carboxyanhydride

Work with N-Trifluoroacetyl-L-lysine N-carboxyanhydride

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

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-L-lysine16965-06-362 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-851 % similar 1-Ethyl (αS)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate116169-90-543 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysyl-L-proline103300-89-641 % similar γ-Benzyl L-glutamate N-carboxyanhydride3190-71-438 % similar L-Tyrosine N-carboxyanhydride3415-08-538 % similar L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-838 % similar N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-L-lysine 4-nitrophenyl ester2592-19-038 % similar

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

Elsewhere

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