chempirical

1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate

C12H21NO3CAS 240401-27-8227.30 g/mol

Open in Covalent MOL file
OONO
CarbamateEther

Properties

Molecular formula
C12H21NO3
Molar mass
227.30 g/mol
Exact mass
227.1521 Da
logP
2.03Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
240401-27-8
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COC2
InChIKey
YVHPBSHIEPPQDC-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester
  • 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
  • tert-Butyl 2-oxa-7-azaspiro[3.5]nonan-7-carboxylate

Work with 1,1-Dimethylethyl 2-oxa-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

1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-467 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-963 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-963 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-861 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-860 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-059 % similar N-Boc-diethanolamine103898-11-957 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-157 % similar

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

Same formula

tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-8 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-9 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-5

Elsewhere

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