chempirical

H-D-Lys(boc)-otbu hcl

C15H31ClN2O4CAS 201007-86-5338.87 g/mol

Open in Covalent MOL file
OONH2NHOOHCl
EsterPrimary 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 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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

Names and synonyms

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

Work with H-D-Lys(boc)-otbu hcl

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.

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

Similar compounds

Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride2389-48-285 % similar tert-Butyl (6-aminohexyl)carbamate monohydrochloride65915-94-857 % similar tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-557 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-654 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-354 % similar N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-753 % similar (R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid25456-76-252 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-752 % similar

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

Elsewhere

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