chempirical

Benzyl 3-oxocyclobutylcarbamate

C12H13NO3CAS 130369-36-7219.24 g/mol

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ONHOO
CarbamateKetone

Properties

Molecular formula
C12H13NO3
Molar mass
219.24 g/mol
Exact mass
219.0895 Da
logP
1.64Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
130369-36-7
SMILES
C1C(CC1=O)NC(=O)OCC2=CC=CC=C2
InChIKey
PSAMWNBBHLUISE-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO3/c14-11-6-10(7-11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)

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Names and synonyms

1 names
  • Benzyl (3-oxocyclobutyl)carbamate

Work with Benzyl 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

4-N-Cbz-cyclohexanone16801-63-173 % similar 3-(Cbz-amino)-azetidine914348-04-269 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-367 % similar Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate87219-29-267 % similar 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-863 % similar N-Cbz-4-hydroxycyclohexane16801-62-063 % similar (S)-3-N-Cbz-aminopyrrolidine176970-12-063 % similar Cbz-D-phenylalaninol58917-85-463 % similar

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

Same formula

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-6 (S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone132836-66-9 2-Butyl-5-nitrobenzofuran133238-87-6 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid133747-57-6 (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-4 5-Methoxy-2-methylindole-3-acetic acid2882-15-7 Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-5 Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-9

Elsewhere

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