chempirical

ε-(N-Benzyloxycarbonyl)-L-lysine methyl ester hydrochloride

C15H23ClN2O4CAS 27894-50-4330.81 g/mol

Open in Covalent MOL file
OOH2NNHOOHCl
EsterPrimary amine

Properties

Molecular formula
C15H23ClN2O4
Molar mass
330.81 g/mol
Exact mass
330.1346 Da
Melting point
75–77 °C
logP
2.21Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
27894-50-4
SMILES
COC(=O)[C@@H](N)CCCCN=C(O)OCc1ccccc1.Cl
InChIKey
QPNJISLOYQGQTI-ZOWNYOTGSA-N
InChI
InChI=1S/C15H22N2O4.ClH/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19);1H/t13-;/m0./s1

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

Names and synonyms

11 names
  • L-Lysine, N6-[(phenylmethoxy)carbonyl]-, methyl ester, hydrochloride (1:1)
  • Lysine, N6-carboxy-, N6-benzyl methyl ester, monohydrochloride, L-
  • L-Lysine, N6-[(phenylmethoxy)carbonyl]-, methyl ester, monohydrochloride
  • Lysine, N6-carboxy-, N6-benzyl methyl ester, hydrochloride, L-
  • L-Lysine, N6-carboxy-, N-benzyl methyl ester, hydrochloride
  • ε-(N-Benzyloxycarbonyl)lysine methyl ester hydrochloride
  • N2-Carboxy-L-lysine N-benzyl methyl ester hydrochloride
  • Nε-Benzyloxycarbonyl-L-lysine methyl ester hydrochloride
  • NSC 83263
  • Nε-CbZ-L-Lysine methyl ester hydrochloride
  • H-Lys(Z)-OMe hydrochloride

Work with ε-(N-Benzyloxycarbonyl)-L-lysine 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

N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-785 % similar ε-(Benzyloxycarbonyl)-L-lysine1155-64-269 % similar N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-664 % similar Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride2389-48-262 % similar N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-358 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-055 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-654 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-854 % similar

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

Elsewhere

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