chempirical

1,1-Dimethylethyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

C11H18N2O3CAS 1234616-51-3226.28 g/mol

Open in Covalent MOL file
OONNHO
Carbamate

Properties

Molecular formula
C11H18N2O3
Molar mass
226.28 g/mol
Exact mass
226.1317 Da
logP
1.58Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1234616-51-3
SMILES
CC(C)(C)OC(=O)N1CC2(CN=C(O)C2)C1
InChIKey
IRALTYPUIGPWFA-UHFFFAOYSA-N
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)12-5-11/h4-7H2,1-3H3,(H,12,14)

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Names and synonyms

1 names
  • 2,6-Diazaspiro[3.4]octane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester

Work with 1,1-Dimethylethyl 7-oxo-2,6-diazaspiro[3.4]octane-2-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-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate169206-67-176 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-557 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-354 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-853 % similar tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate1041026-71-453 % similar 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-951 % similar tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-250 % similar 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-149 % similar

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

Same formula

1,1-Dimethylethyl (1S,3S,5S)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate361440-67-7 Amobarbital57-43-2 (±)-Pentobarbital76-74-4

Elsewhere

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