chempirical

Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

C13H15NO3CAS 66207-08-7233.27 g/mol

Open in Covalent MOL file
NOOO
CarbamateEpoxideEther

Properties

Molecular formula
C13H15NO3
Molar mass
233.27 g/mol
Exact mass
233.1052 Da
logP
1.80Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
66207-08-7
SMILES
C1CN(CC2C1O2)C(=O)OCC3=CC=CC=C3
InChIKey
PHSSLYCBJRMEEV-UHFFFAOYSA-N
InChI
InChI=1S/C13H15NO3/c15-13(14-7-6-11-12(8-14)17-11)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2

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Names and synonyms

1 names
  • 1-Cbz-3,4-epoxypiperidine

Work with Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

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

Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-581 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-167 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-567 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-667 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-567 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-064 % similar 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-163 % similar (S)-1-Cbz-3-aminopyrrolidine hydrochloride550378-39-763 % similar

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

Same formula

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-8 (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-5 Mecarbinate15574-49-9 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-0 Benzyl 4-oxo-1-piperidinecarboxylate19099-93-5 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-7 N-Boc-5-hydroxyindole434958-85-7 Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-3

Elsewhere

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