tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate

C₁₁H₁₇NO₃CAS 1181816-12-5211.26 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₁H₁₇NO₃
Molar mass: 211.26 g/mol
Exact mass: 211.1208 Da
logP: 1.59Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

1181816-12-5

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(=O)C2

InChIKey

HQHRAGXKFOTSQE-UHFFFAOYSA-N

InChI

InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

Work with tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-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

tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-676 % similar tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate1363381-22-971 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-271 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-365 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-463 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-661 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-859 % similar tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-3 1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate198835-06-2 Diethylamine salicylate4419-92-5 Metaproterenol586-06-1 Isoproterenol7683-59-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook