chempirical

α-tert-Butoxycarbonyl-L-lysine

C11H22N2O4CAS 13734-28-6246.31 g/mol

Open in Covalent MOL file
OONHNH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C11H22N2O4
Molar mass
246.31 g/mol
Exact mass
246.1580 Da
Melting point
195–196 °C
logP
1.30Crippen estimate
Polar surface area
105.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13734-28-6
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCCN)C(=O)O
InChIKey
DQUHYEDEGRNAFO-QMMMGPOBSA-N
InChI
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1

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

Names and synonyms

15 names · show all
  • L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-
  • Lysine, N2-carboxy-, N2-tert-butyl ester, L-
  • N2-[(1,1-Dimethylethoxy)carbonyl]-L-lysine
  • N2-tert-Butoxycarbonyl-L-lysine
  • BOC-Lys-OH
  • α-N-tert-Butoxycarbonyl-L-lysine
  • Nα-BOC-L-lysine
  • NSC 343721
  • α-N-Boc-lysine
  • N-α-(tert-Butoxycarbonyl)-L-lysine
  • (S)-6-Amino-2-(tert-butoxycarbonylamino)hexanoic acid
  • N-tert-Butoxycarbonyllysine
  • BOC-L-Lys-OH
  • (2S)-6-Amino-2-[[(tert-butoxy)carbonyl]amino]hexanoic acid
  • (2S)-6-Azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Work with α-tert-Butoxycarbonyl-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

N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-072 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-072 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-267 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine2483-47-867 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-666 % similar L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)21947-32-064 % similar 5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate73821-97-363 % similar Boc-L-methionine2488-15-563 % similar

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

Same formula

Boc-D-lys-oh106719-44-2 1-Boc-piperazine acetate143238-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook