tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride

C₈H₁₇ClN₂O₂CAS 217806-26-3208.69 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₈H₁₇ClN₂O₂
Molar mass: 208.69 g/mol
Exact mass: 208.0979 Da
logP: 0.90Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

217806-26-3

SMILES

CC(C)(C)OC(=O)NC1CNC1.Cl

InChIKey

VLOLOLUAVFGUTD-UHFFFAOYSA-N

InChI

InChI=1S/C8H16N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-9-5-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H

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

Names and synonyms

1 names

tert-Butyl (azetidin-3-yl)carbamate hydrochloride

Work with tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride

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

(S)-3-(Boc-amino)pyrrolidine122536-76-969 % similar 3-(Boc-amino)piperidine172603-05-365 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-865 % similar (R)-3-(Boc-amino)piperidine309956-78-365 % similar tert-Butyl 3-oxocyclobutylcarbamate154748-49-960 % similar N-1-Boc-amino-3-cyclopentene193751-54-160 % similar exo-3-Boc-aminotropane132234-68-557 % similar tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-457 % similar

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

Same formula

3-Amino-4-cyclobutyl-2-hydroxybutanamide hydrochloride394735-23-0

Elsewhere

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