1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate

C15H25NO3CAS 873924-08-4267.37 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C15H25NO3
Molar mass
267.37 g/mol
Exact mass
267.1834 Da
Melting point
70–73 °C
Boiling point
120 °C (at 0.02 Torr)
logP
3.15Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
873924-08-4
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)CC1
InChIKey
UXZBTEIHIQFMIT-UHFFFAOYSA-N
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)6-4-12(17)5-7-15/h4-11H2,1-3H3

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Names and synonyms

4 names
  • 3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-oxo-, 1,1-dimethylethyl ester
  • tert-Butyl 9-oxo-3-azaspiro[5.5]undecan-3-carboxylate
  • 9-Oxo-3-azaspiro[5.5]undecane-3-carboxylic acid tert-butyl ester
  • tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate

Work with 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-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

tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate1363381-22-974 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-274 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-373 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-268 % similar 7-Boc-2-oxa-7-azaspiro[3.5]nonane240401-27-867 % similar tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-666 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-465 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-765 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Metoprolol37350-58-6

Elsewhere

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