Ethyl 2-oxo-3-piperidinecarboxylate - CAS 3731-16-6

Catalog:	BB023252
Product Name:	Ethyl 2-oxo-3-piperidinecarboxylate
CAS:	3731-16-6
Synonyms:	ethyl 2-oxopiperidine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-oxopiperidine-3-carboxylate
Description:	Ethyl 2-oxo-3-piperidinecarboxylate (CAS# 3731-16-6) is a useful research chemical.
Molecular Weight:	171.19
Molecular Formula:	C8H13NO3
Canonical SMILES:	CCOC(=O)C1CCCNC1=O
InChI:	InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)
InChI Key:	DUMNOWYWTAYLJN-UHFFFAOYSA-N
Boiling Point:	326 °C at 760 mmHg
Density:	1.118 g/cm³
MDL:	MFCD00006038
LogP:	0.40450

Publication Number	Title	Priority Date
WO-2021116476-A1	Agonists of rna adenosine n-6 methylation for use in suppressing hiv-1 latent provirus activation and replication	20191212
WO-2021042058-A2	Recombinant host cells for the production of malonate	20190830
WO-2020114583-A1	A method of modulating hiv-1 provirus activation and replication	20181204
CN-113166158-A	7-, 8-and 10-substituted aminotriazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof	20181130
US-2020079770-A1	PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES	20180830

PMID	Publication Date	Title	Journal
22136433	20120112	7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes	Journal of medicinal chemistry

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Related Functional Groups

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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:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.08954328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5