chempirical

1,1-Dimethylethyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C13H22N2O3CAS 169206-67-1254.33 g/mol

Open in Covalent MOL file
OONNHO
Carbamate

Properties

Molecular formula
C13H22N2O3
Molar mass
254.33 g/mol
Exact mass
254.1630 Da
logP
2.36Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
169206-67-1
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN=C(O)C2
InChIKey
HNMWIKVFYHYBKX-UHFFFAOYSA-N
InChI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-13(5-7-15)8-10(16)14-9-13/h4-9H2,1-3H3,(H,14,16)

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Names and synonyms

5 names
  • 2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
  • tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
  • 3-Oxo-2,8-diazaspiro[4,5]decane-8-carboxylic acid tert-butyl ester
  • 3-Oxo-2,8-diazaspiro[4.5]decan-8-carboxylic acid tert-butyl ester
  • tert-Butyl3-oxo-2,8-diazaspiro[4.5]decan-8-carboxylate

Work with 1,1-Dimethylethyl 3-oxo-2,8-diazaspiro[4.5]decane-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

1,1-Dimethylethyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate1234616-51-376 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-857 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-055 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-455 % similar 1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate183673-70-353 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-952 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-852 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-850 % similar

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

Elsewhere

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