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3-Oxo-7-azaspiro[3.5]nonane-7-carboxylate tert-butyl ester

3-Oxo-7-azaspiro[3.5]nonane-7-carboxylate tert-butyl ester - CAS 849203-60-7

Name: 3-Oxo-7-azaspiro[3.5]nonane-7-carboxylate tert-butyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037370
Product Name:	3-Oxo-7-azaspiro[3.5]nonane-7-carboxylate tert-butyl ester
CAS:	849203-60-7
Synonyms:	tert-butyl 3-oxo-7-azaspiro[3.5]nonane-7-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-oxo-7-azaspiro[3.5]nonane-7-carboxylate
Description:	3-Oxo-7-azaspiro[3.5]nonane-7-carboxylate tert-butyl ester (CAS# 849203-60-7) is a useful research chemical.
Molecular Weight:	239.31
Molecular Formula:	C13H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2(CCC2=O)CC1
InChI:	InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10(13)15/h4-9H2,1-3H3
InChI Key:	IJUALTPNDJIBJT-UHFFFAOYSA-N
Purity:	95+ %
Appearance:	Solid
MDL:	MFCD14585368
LogP:	2.30450

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020100959-A1	1,3,4-oxadiazolone compound and medicine	20181115
CN-113302184-A	1,3, 4-oxadiazolinone compounds and drugs	20181115
EP-3882239-A1	1,3,4-oxadiazolone compound and medicine	20181115
JP-WO2020100959-A1	1,3,4-oxadiazolone compounds and pharmaceuticals	20181115
KR-20210091767-A	1,3,4-oxadiazolone compounds and medicaments	20181115

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.15214353
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3