chempirical

N6-(2,2,2-Trifluoroacetyl)-L-lysine

C8H13F3N2O3CAS 10009-20-8242.20 g/mol

Open in Covalent MOL file
NH2NHOFFFOHO
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C8H13F3N2O3
Molar mass
242.20 g/mol
Exact mass
242.0878 Da
Melting point
252–254 °C (decomposes)
logP
1.09Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
10009-20-8
SMILES
N[C@@H](CCCCN=C(O)C(F)(F)F)C(=O)O
InChIKey
PZZHRSVBHRVIMI-YFKPBYRVSA-N
InChI
InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1

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Names and synonyms

8 names
  • L-Lysine, N6-(2,2,2-trifluoroacetyl)-
  • Lysine, N6-(trifluoroacetyl)-, L-
  • L-Lysine, N6-(trifluoroacetyl)-
  • N6-(Trifluoroacetyl)-L-lysine
  • N6-(Trifluoroacetyl)lysine
  • Nε-Trifluoroacetyl-L-lysine
  • Nω-(Trifluoroacetyl)-L-lysine
  • (S)-6-(Trifluoroacetylamino)-2-aminohexanoic acid

Work with N6-(2,2,2-Trifluoroacetyl)-L-lysine

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

N6-(2,2,2-Trifluoroacetyl)-L-lysyl-L-proline103300-89-667 % similar Acetyllysine692-04-660 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-L-lysine16965-06-354 % similar Nε-formyl-L-lysine1190-48-353 % similar Diaminopimelic acid583-93-753 % similar N-Trifluoroacetyl-L-lysine N-carboxyanhydride42267-27-651 % similar N-Lauroyl-L-lysine52315-75-051 % similar Polylysine25104-18-150 % similar

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

Elsewhere

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