3,3-Diethyl-4-oxo-2-azetidinyl Propionate - CAS 142935-44-2

Catalog:	BB009472
Product Name:	3,3-Diethyl-4-oxo-2-azetidinyl Propionate
CAS:	142935-44-2
Synonyms:	propanoic acid (3,3-diethyl-4-oxo-2-azetidinyl) ester; (3,3-diethyl-4-oxoazetidin-2-yl) propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	(3,3-diethyl-4-oxoazetidin-2-yl) propanoate
Description:	3,3-Diethyl-4-oxo-2-azetidinyl Propionate (CAS# 142935-44-2 ) is a useful research chemical.
Molecular Weight:	199.25
Molecular Formula:	C10H17NO3
Canonical SMILES:	CCC(=O)OC1C(C(=O)N1)(CC)CC
InChI:	InChI=1S/C10H17NO3/c1-4-7(12)14-9-10(5-2,6-3)8(13)11-9/h9H,4-6H2,1-3H3,(H,11,13)
InChI Key:	JEUBRNMPSDDATF-UHFFFAOYSA-N
LogP:	1.47780

Publication Number	Title	Priority Date
EP-2209372-A1	Novel azetidinones useful as inhibitors of elastase	20071005
US-2010216761-A1	Novel azetidinones useful as inhibitors of elastase	20071005
WO-2009045419-A1	Novel azetidinones useful as inhibitors of elastase	20071005
US-6194569-B1	Efficient process for the preparation of [S-(R,S)]-N-[1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2[4-[4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-1-azetidine carboxamide, a human leukocyte elastase inhibitor	19980831
WO-0012474-A1	An efficient process for the preparation of a human leukocyte elastase inhibitor	19980831

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.1208434
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.1208434
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4