chempirical

tert-Butyl 3-bromoazetidine-1-carboxylate

C8H14BrNO2CAS 1064194-10-0236.11 g/mol

Open in Covalent MOL file
OONBr
Alkyl halideCarbamate

Properties

Molecular formula
C8H14BrNO2
Molar mass
236.11 g/mol
Exact mass
235.0208 Da
logP
2.00Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1064194-10-0
SMILES
CC(C)(C)OC(=O)N1CC(C1)Br
InChIKey
RUTPPPNQDPSSBM-UHFFFAOYSA-N
InChI
InChI=1S/C8H14BrNO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3

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Work with tert-Butyl 3-bromoazetidine-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

tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-266 % similar Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-660 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-060 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-960 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-058 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-258 % similar tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-557 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-457 % similar

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

Same formula

Arecoline hydrobromide300-08-3

Elsewhere

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