3-(Cbz-amino)-azetidine

C₁₁H₁₄N₂O₂CAS 914348-04-2206.25 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₁H₁₄N₂O₂
Molar mass: 206.25 g/mol
Exact mass: 206.1055 Da
logP: 0.88Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

914348-04-2

SMILES

C1C(CN1)NC(=O)OCC2=CC=CC=C2

InChIKey

UWOOBFRZDNDUQB-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2/c14-11(13-10-6-12-7-10)15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)

Weigh it out

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

Work with 3-(Cbz-amino)-azetidine

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-N-Cbz-aminopyrrolidine176970-12-078 % similar (R)-3-N-Cbz-aminopyrrolidine879275-77-178 % similar 3-Cbz-aminopiperidine hcl31648-54-174 % similar S-3-Cbz-amino pyrrolidine-hcl1217631-74-772 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-769 % similar 4-N-Cbz-cyclohexanone16801-63-166 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-364 % similar 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-864 % similar

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

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 Dimezone S13047-13-7 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5

Elsewhere

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