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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

H-D-Lys(boc)-otbu hcl201007-86-5Enantiomer

Similar compounds

(S)-tert-Butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride5978-22-370 % similar N-Epsilon-boc-D-lysine31202-69-467 % similar tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-559 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-959 % similar H-Dap(boc)-ome hcl114559-25-058 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-657 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-357 % similar tert-Butyl N-(4-aminobutyl)carbamate68076-36-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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