tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate

C₁₂H₁₉NO₃CAS 203661-71-6225.29 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₂H₁₉NO₃
Molar mass: 225.29 g/mol
Exact mass: 225.1365 Da
logP: 1.98Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

203661-71-6

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)C2

InChIKey

WQPZESPYNGQLQA-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(14)7-12/h4-8H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

6-Boc-2-oxo-6-aza-spiro[3.4]octane

Work with tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-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-7-azaspiro[3.5]nonane-7-carboxylate203661-69-282 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-576 % similar tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate336191-17-467 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-466 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-863 % similar tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate1363381-22-963 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-861 % similar tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-859 % similar

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

Same formula

cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate146231-54-1 N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole148404-28-8 N-Boc-nortropinone185099-67-6 Terbutaline23031-25-6

Elsewhere

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