chempirical

2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester

C12H22N2O2CAS 236406-49-8226.32 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C12H22N2O2
Molar mass
226.32 g/mol
Exact mass
226.1681 Da
logP
1.61Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
236406-49-8
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNC2
InChIKey
HPPARSNAMZJAPZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-5-12(9-14)4-6-13-8-12/h13H,4-9H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate

Work with 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester

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

2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-684 % similar tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate336191-17-484 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-274 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-871 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-966 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-366 % similar tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-663 % similar tert-Butyl 2,6-Diazaspiro(3.3)heptane-2-carboxylate Hemioxalate1041026-71-457 % similar

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

Same formula

exo-3-Boc-aminotropane132234-68-5 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-6 rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-3 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-6

Elsewhere

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