chempirical

1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C12H19N3O4CAS 183673-70-3269.30 g/mol

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OONHNONHO
Carbamate

Properties

Molecular formula
C12H19N3O4
Molar mass
269.30 g/mol
Exact mass
269.1376 Da
Melting point
233–234 °C (decomposes)
logP
1.64Crippen estimate
Polar surface area
94.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
183673-70-3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)N=C(O)N=C2O
InChIKey
DHJXKTPWDXJQEK-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8(16)13-9(17)14-12/h4-7H2,1-3H3,(H2,13,14,16,17)

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Names and synonyms

4 names
  • 1,3,8-Triazaspiro[4.5]decane-8-carboxylic acid, 2,4-dioxo-, 1,1-dimethylethyl ester
  • 2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
  • tert-Butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
  • 8-tert-Butoxycarbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Work with 1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-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-carboxylate169206-67-153 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-849 % similar N-Boc-diethanolamine103898-11-949 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-949 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-848 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-048 % similar 1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-148 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-848 % similar

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

Elsewhere

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