chempirical

tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C11H20N2O2CAS 149771-44-8212.29 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C11H20N2O2
Molar mass
212.29 g/mol
Exact mass
212.1525 Da
logP
1.36Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
149771-44-8
SMILES
CC(C)(C)OC(=O)N1C2CCC1CNC2
InChIKey
HNINFCBLGHCFOJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8/h8-9,12H,4-7H2,1-3H3

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

Names and synonyms

6 names
  • 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
  • 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
  • 8-Boc-3,8-diazabicyclo[3.2.1]octane
  • 8-(tert-Butoxycarbonyl)-3,8-diazabicyclo[3.2.1]octane
  • 3,8-Diaza-bicyclo[3.2.1]octan-8-carboxylic acid tert-butyl ester

Work with tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate

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

4-N-Boc-4-N-methyl-aminopiperidine108612-54-057 % similar N-Boc-cis-2,6-diethyl-4-piperidone1003843-30-855 % similar 3-(N-Boc-methylaminomethyl)azetidine1053655-53-055 % similar 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-954 % similar 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate291775-59-251 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-451 % similar N-Boc-piperazine57260-71-650 % similar (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-549 % similar

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

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4 (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane127199-45-5 Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-6 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 Brivaracetam357336-20-0

Elsewhere

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