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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-260 % similar 7-Boc-2-oxa-7-azaspiro[3.5]nonane240401-27-857 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-756 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-055 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-255 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-455 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Boc-4-spiro-[3-(2-pyrrolidinone)] piperidine268550-48-7

Elsewhere

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