chempirical

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-L-lysine

C13H21F3N2O5CAS 16965-06-3342.32 g/mol

Open in Covalent MOL file
OONHNHOFFFOHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C13H21F3N2O5
Molar mass
342.32 g/mol
Exact mass
342.1403 Da
logP
2.86Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
16965-06-3
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCCN=C(O)C(F)(F)F)C(=O)O
InChIKey
DEIYNDIFGSDDCY-QMMMGPOBSA-N
InChI
InChI=1S/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t8-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-
  • Lysine, N2-carboxy-N6-(trifluoroacetyl)-, N2-tert-butyl ester, L-
  • L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-(trifluoroacetyl)-
  • NSC 164662
  • (S)-6-(Trifluoroacetylamino)-2-(tert-butoxycarbonylamino)hexanoic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
  • (S)-2-((tert-Butoxycarbonyl)amino)-6-(2,2,2-trifluoroacetamido)hexanoic acid
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-6-(trifluoroacetamido)hexanoic acid

Work with N2-[(1,1-Dimethylethoxy)carbonyl]-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

L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-867 % similar N2-Acetyl-N6-[(1,1-dimethylethoxy)carbonyl]-L-lysine23500-04-164 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine2483-47-864 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-663 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-062 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-062 % similar N-Trifluoroacetyl-L-lysine N-carboxyanhydride42267-27-662 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-960 % similar

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

Elsewhere

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