tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate

C₁₃H₂₁NO₃CAS 1363381-22-9239.31 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₃H₂₁NO₃
Molar mass: 239.31 g/mol
Exact mass: 239.1521 Da
logP: 2.37Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1363381-22-9

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CCC(=O)CC2

InChIKey

KHCPHQZPEYFYRA-UHFFFAOYSA-N

InChI

InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-13(9-14)6-4-10(15)5-7-13/h4-9H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Azaspiro(3.5)nonan-7-one, NBOC protected

Work with tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-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

1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-474 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-571 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-667 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-365 % similar tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-663 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-361 % similar tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-859 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Salbutamol18559-94-9 tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-2 (-)-Salbutamol34391-04-3 N-Boc-9-azabicyclo[3.3.1]nonan-3-one512822-27-4 4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)955997-89-4

Elsewhere

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