9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one

C₁₂H₁₉NO₄CAS 280761-97-9241.29 g/mol

Open in Covalent MOL file

Carbamate Ether Ketone

Properties

Molecular formula: C₁₂H₁₉NO₄
Molar mass: 241.29 g/mol
Exact mass: 241.1314 Da
logP: 1.35Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

280761-97-9

SMILES

CC(C)(C)OC(=O)N1C2CC(=O)CC1COC2

InChIKey

CQLVVTNYEYTHMM-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-8-4-10(14)5-9(13)7-16-6-8/h8-9H,4-7H2,1-3H3

Weigh it out

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Work with 9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one

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

N-Boc-nortropinone185099-67-676 % similar N-Boc-cis-2,6-diethyl-4-piperidone1003843-30-872 % similar N-Boc-9-azabicyclo[3.3.1]nonan-3-one512822-27-472 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-855 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-655 % similar cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate146231-54-154 % similar N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole148404-28-854 % similar tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-951 % similar

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

Same formula

3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester1002355-96-5 (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid1129634-44-1 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate291775-59-2

Elsewhere

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