tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

C₁₃H₂₁NO₃CAS 203661-69-2239.31 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₃H₂₁NO₃
Molar mass: 239.31 g/mol
Exact mass: 239.1521 Da
logP: 2.37Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

203661-69-2

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2

InChIKey

SIMIIXFMGJYGLR-UHFFFAOYSA-N

InChI

InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13/h4-9H2,1-3H3

Weigh it out

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Work with tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-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 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-682 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-474 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-571 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-869 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-265 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-365 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-962 % similar 2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-662 % similar

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

Same formula

tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate1363381-22-9 Salbutamol18559-94-9 (-)-Salbutamol34391-04-3

Elsewhere

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