chempirical

Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate

C12H13NO3CAS 31865-25-5219.24 g/mol

Open in Covalent MOL file
ONOO
CarbamateEpoxideEther

Properties

Molecular formula
C12H13NO3
Molar mass
219.24 g/mol
Exact mass
219.0895 Da
logP
1.41Crippen 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
31865-25-5
SMILES
C1C2C(O2)CN1C(=O)OCC3=CC=CC=C3
InChIKey
FZDACFZWWMAUBO-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO3/c14-12(13-6-10-11(7-13)16-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2

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Names and synonyms

1 names
  • 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester

Work with Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-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

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-270 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-670 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-765 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-462 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-160 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-560 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-660 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-560 % similar

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

Same formula

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-6 Benzyl 3-oxocyclobutylcarbamate130369-36-7 (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 Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-9

Elsewhere

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