chempirical

N2-Acetyl-N6-[(1,1-dimethylethoxy)carbonyl]-L-lysine

C13H24N2O5CAS 23500-04-1288.34 g/mol

Open in Covalent MOL file
ONHNHOOOHO
Carboxylic acid

Properties

Molecular formula
C13H24N2O5
Molar mass
288.34 g/mol
Exact mass
288.1685 Da
Melting point
128 °C
logP
2.32Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
23500-04-1
SMILES
CC(O)=N[C@@H](CCCCN=C(O)OC(C)(C)C)C(=O)O
InChIKey
NZAMQYCOJSWUAO-JTQLQIEISA-N
InChI
InChI=1S/C13H24N2O5/c1-9(16)15-10(11(17)18)7-5-6-8-14-12(19)20-13(2,3)4/h10H,5-8H2,1-4H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Lysine, N2-acetyl-N6-[(1,1-dimethylethoxy)carbonyl]-
  • α-N-Acetyl-ε-N-Boc-L-lysine
  • (2S)-2-Acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
  • (S)-2-Acetamido-6-((tert-butoxycarbonyl)amino)hexanoicacid
  • Lysine, N2-acetyl-N6-carboxy-, N6-tert-butyl ester, L-

Work with N2-Acetyl-N6-[(1,1-dimethylethoxy)carbonyl]-L-lysine

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-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-871 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-L-lysine16965-06-364 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-863 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine2483-47-862 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-960 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-660 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-059 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-059 % similar

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

Elsewhere

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