Ethyl oxamate - CAS 617-36-7

Name: Ethyl oxamate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031240
Product Name:	Ethyl oxamate
CAS:	617-36-7
Synonyms:	ethyl 2-amino-2-oxoacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-amino-2-oxoacetate
Description:	Ethyl oxamate (CAS# 617-36-7) is a reagent used to prepare methanotetrahydroisoquinolinecarboxylic acid. It can also be used in preparation of 1,2,4-Thiadiazole, a Cathepsin B inhibitor.
Molecular Weight:	117.10
Molecular Formula:	C4H7NO3
Canonical SMILES:	CCOC(=O)C(=O)N
InChI:	InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)
InChI Key:	RZMZBHSKPLVQCP-UHFFFAOYSA-N
Boiling Point:	188.7 °C at 760 mmHg
Density:	1.184 g/cm³
MDL:	MFCD00008005
LogP:	-0.26490

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic 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
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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PMID	Publication Date	Title	Journal
21145626	20110101	Part I: Synthesis, cancer chemopreventive activity and molecular docking study of novel quinoxaline derivatives	European journal of medicinal chemistry
21201823	20080830	Diethyl N,N'-(p-phenylene)dioxamate	Acta crystallographica. Section E, Structure reports online
16990943	20061007	Methyltrifluoropyruvate imines possessing N-oxalyl and N-phosphonoformyl groups--precursors to a variety of alpha-CF3-alpha-amino acid derivatives	Organic & biomolecular chemistry
16193815	20050501	Studies on the synthesis of new derivatives of 8-aryl-4-imino-2,3,7,8-tetrahydro-imidazo [2,1-c][1,2,4] triazin-3 (6H)-one with an expected biological activity	Acta poloniae pharmaceutica
15345861	20040901	Diethyl piperazine-1,4-diyldioxalate	Acta crystallographica. Section C, Crystal structure communications

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.042593085
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	117.042593085
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2