(R)-N-Cbz-3-aminooxetan-2-one - CAS 98632-91-8

Catalog:	BB042202
Product Name:	(R)-N-Cbz-3-aminooxetan-2-one
CAS:	98632-91-8
Synonyms:	N-[(3R)-2-oxo-3-oxetanyl]carbamic acid (phenylmethyl) ester; benzyl N-[(3R)-2-oxooxetan-3-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	benzyl N-[(3R)-2-oxooxetan-3-yl]carbamate
Description:	(R)-N-Cbz-3-aminooxetan-2-one (CAS# 98632-91-8) is a useful research chemical.
Molecular Weight:	221.21
Molecular Formula:	C11H11NO4
Canonical SMILES:	C1C(C(=O)O1)NC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m1/s1
InChI Key:	CWFZPRQDHIUBDO-SECBINFHSA-N
LogP:	1.04260

Publication Number	Title	Priority Date
TW-202038941-A	Alkyl substituted compounds	20181228
WO-2020138499-A1	Alkyl-substituted compound	20181228
EP-2200564-B1	Compositions and methods of inhibiting n-acylethanolamine-hydrolyzing acid amidase	20071011
US-10363237-B2	Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase	20071011
US-2010311711-A1	Inhibitors of NAAA and Methods Thereof	20071011

PMID	Publication Date	Title	Journal
22515328	20120524	N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships	Journal of medicinal chemistry
10823207	19990909	Beta-lactones as a new class of cysteine proteinase inhibitors: inhibition of hepatitis A virus 3C proteinase by N-Cbz-serine beta-lactone	Organic letters

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Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	221.06880783
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.06880783
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2