tert-Butyl 3-oxocyclobutylcarbamate

C₉H₁₅NO₃CAS 154748-49-9185.22 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₉H₁₅NO₃
Molar mass: 185.22 g/mol
Exact mass: 185.1052 Da
logP: 1.24Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

154748-49-9

SMILES

CC(C)(C)OC(=O)NC1CC(=O)C1

InChIKey

FNHPTFKSPUTESA-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)

Weigh it out

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

Names and synonyms

1 names

Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl 3-oxocyclobutylcarbamate

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 N-(4-oxocyclohexyl)carbamate179321-49-470 % similar 3-N-Boc-amino-azetidine91188-13-566 % similar N-1-Boc-amino-3-cyclopentene193751-54-164 % similar exo-3-Boc-aminotropane132234-68-560 % similar tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride217806-26-360 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-160 % similar Boc-trans-4-aminocyclohexanol111300-06-258 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-7 tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-2 tert-Butyl 3-formylazetidine-1-carboxylate177947-96-5 tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-5 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7 Ethyl 2-acetyl-3-(dimethylamino)acrylate51145-57-4 (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone77877-19-1 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-6

Elsewhere

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