tert-Butyl 3-Acetylazetidine-1-carboxylate - CAS 870089-49-9

Catalog:	BB038174
Product Name:	tert-Butyl 3-Acetylazetidine-1-carboxylate
CAS:	870089-49-9
Synonyms:	3-acetyl-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-acetylazetidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-acetylazetidine-1-carboxylate
Description:	tert-Butyl 3-Acetylazetidine-1-carboxylate (CAS# 870089-49-9) is a useful research chemical.
Molecular Weight:	199.25
Molecular Formula:	C10H17NO3
Canonical SMILES:	CC(=O)C1CN(C1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C10H17NO3/c1-7(12)8-5-11(6-8)9(13)14-10(2,3)4/h8H,5-6H2,1-4H3
InChI Key:	KRFZYPWUCOYOML-UHFFFAOYSA-N
LogP:	1.38020

Publication Number	Title	Priority Date
US-2021047287-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
WO-2021030262-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
WO-2019215341-A1	Furin inhibitors	20180511
AU-2019267166-A1	Furin inhibitors	20180511
CN-112384509-A	Furin inhibitors	20180511

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.12084340
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.12084340
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6