chempirical

tert-Butyl 3-oxoazetidine-1-carboxylate

C8H13NO3CAS 398489-26-4171.20 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C8H13NO3
Molar mass
171.20 g/mol
Exact mass
171.0895 Da
logP
0.81Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
398489-26-4
SMILES
CC(C)(C)OC(=O)N1CC(=O)C1
InChIKey
VMKIXWAFFVLJCK-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Azetidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
  • 3-Oxoazetidine-1-carboxylic acid tert-butyl ester
  • 1-tert-Butoxycarbonyl-3-azetidinone
  • 1-(tert-Butoxycarbonyl)-3-oxoazetidine
  • 1-Boc-3-oxoazetidine
  • 1-Boc-azetidin-3-one
  • N-Boc-azetidin-3-one
  • 3-Boc-azetidinone
  • N-(tert-Butoxycarbonyl)-3-oxoazetidine

Work with tert-Butyl 3-oxoazetidine-1-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

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-773 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-367 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-563 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-962 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-160 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-860 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-457 % similar N-Boc-diethanolamine103898-11-956 % similar

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

Same formula

Ucb-L 057102849-49-0 Levetiracetam acid103833-72-3 1-Acetyl-4-piperidinecarboxylic acid25503-90-6 1-(Ethoxycarbonyl)-4-piperidone29976-53-2 3-Carbethoxy-2-piperidone3731-16-6

Elsewhere

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