chempirical

Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride

C12H25ClN2O4CAS 2389-48-2296.79 g/mol

Open in Covalent MOL file
OONH2NHOOHCl
EsterPrimary amine

Properties

Molecular formula
C12H25ClN2O4
Molar mass
296.79 g/mol
Exact mass
296.1503 Da
Melting point
158–159 °C
logP
1.81Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2389-48-2
SMILES
COC(=O)[C@@H](N)CCCCN=C(O)OC(C)(C)C.Cl
InChIKey
NANRHOPPXCBHGI-FVGYRXGTSA-N
InChI
InChI=1S/C12H24N2O4.ClH/c1-12(2,3)18-11(16)14-8-6-5-7-9(13)10(15)17-4;/h9H,5-8,13H2,1-4H3,(H,14,16);1H/t9-;/m0./s1

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

Names and synonyms

5 names
  • L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, hydrochloride (1:1)
  • Lysine, N6-carboxy-, N-tert-butyl methyl ester, monohydrochloride, L-
  • L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, monohydrochloride
  • Nε-BOC-L-lysine methyl ester hydrochloride
  • Methyl (2S)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoate hydrochloride

Work with Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride

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

D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)201007-86-585 % similar ε-(N-Benzyloxycarbonyl)-L-lysine methyl ester hydrochloride27894-50-462 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-157 % similar N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride65915-94-854 % similar Methyl L-lysinate dihydrochloride26348-70-953 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-851 % similar H-Dap(boc)-ome hcl114559-25-050 % similar N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-750 % similar

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

Elsewhere

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