1-Boc-3-cyanoazetidine

C9H14N2O2CAS 142253-54-1182.22 g/mol

Open in Covalent MOL file
OONN
CarbamateNitrile

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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 1-Boc-3-cyanopyrrolidine476493-40-078 % similar N-Boc-3-cyanopiperidine91419-53-374 % similar (S)-1-N-Boc-3-cyanopiperidine915226-39-074 % similar tert-Butyl 4-cyanopiperidine-1-carboxylate91419-52-272 % similar 3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-567 % similar tert-Butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate203662-66-265 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-tert-Butyl-1-methyl-1H-pyrazole-5-carboxylic acid175277-11-9 5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester78208-72-7 Ethyl 3-propyl-1H-pyrazole-5-carboxylate92945-27-2

Elsewhere

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