tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate

C₁₁H₁₉NO₃CAS 147804-30-6213.28 g/mol

Open in Covalent MOL file

Carbamate Epoxide Ether

Properties

Molecular formula: C₁₁H₁₉NO₃
Molar mass: 213.28 g/mol
Exact mass: 213.1365 Da
logP: 1.79Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

147804-30-6

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CO2

InChIKey

ULSBMKGFFFMGOI-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-11(5-7-12)8-14-11/h4-8H2,1-3H3

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Names and synonyms

1 names

1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid, 1,1-dimethylethyl ester

Work with tert-Butyl 1-oxa-6-azaspiro(2.5)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

1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-866 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-963 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-861 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-458 % similar N-Boc-diethanolamine103898-11-957 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-157 % similar N-Boc-piperazine57260-71-657 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-357 % similar

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

Same formula

tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-8 1-Boc-piperidine-3-carboxaldehyde118156-93-7 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-3 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-6

Elsewhere

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