N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride

C₁₅H₃₁ClN₂O₄CAS 13288-57-8338.87 g/mol

Open in Covalent MOL file

Carbamate Ester Primary amine

Properties

Molecular formula: C₁₅H₃₁ClN₂O₄
Molar mass: 338.87 g/mol
Exact mass: 338.1972 Da
logP: 2.77Crippen estimate
Polar surface area: 90.6 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

13288-57-8

SMILES

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N.Cl

InChIKey

TZBPQINFXPIRBX-MERQFXBCSA-N

InChI

InChI=1S/C15H30N2O4.ClH/c1-14(2,3)20-12(18)11(16)9-7-8-10-17-13(19)21-15(4,5)6;/h11H,7-10,16H2,1-6H3,(H,17,19);1H/t11-;/m0./s1

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Names and synonyms

1 names

Ne-boc-L-lysine tert-butyl ester hydrochloride

Work with N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl 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

L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-559 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-959 % similar H-Dap(boc)-ome hcl114559-25-058 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-357 % similar H-D-Leu-otbu hcl13081-32-852 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-749 % similar Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride2389-48-248 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-748 % similar

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

Same formula

D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)201007-86-5

Elsewhere

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