tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate

C₁₂H₂₁NO₃CAS 1245816-29-8227.30 g/mol

Open in Covalent MOL file

Carbamate Ether

Properties

Molecular formula: C₁₂H₂₁NO₃
Molar mass: 227.30 g/mol
Exact mass: 227.1521 Da
logP: 2.03Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

1245816-29-8

SMILES

CC(C)(C)OC(=O)N1CCCC2(C1)COC2

InChIKey

NJHHTWIPJPGHQB-UHFFFAOYSA-N

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-5-12(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

1 names

2-Oxa-6-azaspiro[3,5]nonane-6-carboxylic acid tert-butyl ester

Work with tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-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 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-361 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-960 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-858 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-353 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-553 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-851 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-050 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-150 % similar

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

Same formula

1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-9 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-8 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook