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

C₁₅H₃₁ClN₂O₄CAS 201007-86-5338.87 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₅H₃₁ClN₂O₄
Molar mass: 338.87 g/mol
Exact mass: 338.1972 Da
logP: 2.98Crippen estimate
Polar surface area: 94.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

201007-86-5

SMILES

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

InChIKey

TZBPQINFXPIRBX-RFVHGSKJSA-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-;/m1./s1

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Names and synonyms

1 names

D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, monohydrochloride

Work with D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)

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

Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride2389-48-285 % similar N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride65915-94-857 % similar L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-557 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-354 % similar N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-753 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-752 % similar ε-(N-Benzyloxycarbonyl)-L-lysine methyl ester hydrochloride27894-50-452 % similar N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-351 % similar

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

Same formula

N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-8

Elsewhere

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