1-Boc-3-cyanoazetidine

C₉H₁₄N₂O₂CAS 142253-54-1182.22 g/mol

Open in Covalent MOL file

Carbamate Nitrile

Properties

Molecular formula: C₉H₁₄N₂O₂
Molar mass: 182.22 g/mol
Exact mass: 182.1055 Da
logP: 1.38Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

142253-54-1

SMILES

CC(C)(C)OC(=O)N1CC(C1)C#N

InChIKey

WEFREESWPHICPL-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,5-6H2,1-3H3

Weigh it out

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

Work with 1-Boc-3-cyanoazetidine

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

(R)-1-Boc-3-cyanopyrrolidine132945-76-778 % similar (S)-1-Boc-3-cyanopyrrolidine132945-78-978 % similar tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate175463-32-863 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-260 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-058 % similar Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-655 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-055 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-955 % similar

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

Same formula

5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester78208-72-7

Elsewhere

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