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

C₁₂H₁₃NO₃CAS 31865-25-5219.24 g/mol

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Carbamate Epoxide Ether

Properties

Molecular formula: C₁₂H₁₃NO₃
Molar mass: 219.24 g/mol
Exact mass: 219.0895 Da
logP: 1.41Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

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

Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate66207-08-781 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-270 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-670 % similar Benzyl 3-iodoazetidine-1-carboxylate939759-26-970 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-765 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-462 % similar Methyl 1-cbz-azetidine-3-carboxylate757239-60-462 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-160 % 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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