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tert-Butyl 2-(2-Ethynyl-2-methyl-1-pyrrolidinyl)acetate

tert-Butyl 2-(2-Ethynyl-2-methyl-1-pyrrolidinyl)acetate - CAS 2086689-87-2

Catalog:	BB016360
Product Name:	tert-Butyl 2-(2-Ethynyl-2-methyl-1-pyrrolidinyl)acetate
CAS:	2086689-87-2
Synonyms:	2-(2-ethynyl-2-methyl-1-pyrrolidinyl)acetic acid tert-butyl ester; tert-butyl 2-(2-ethynyl-2-methylpyrrolidin-1-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-(2-ethynyl-2-methylpyrrolidin-1-yl)acetate
Description:	tert-Butyl 2-(2-Ethynyl-2-methyl-1-pyrrolidinyl)acetate (CAS# 2086689-87-2 ) is a useful research chemical.
Molecular Weight:	223.31
Molecular Formula:	C13H21NO2
Canonical SMILES:	CC1(CCCN1CC(=O)OC(C)(C)C)C#C
InChI:	InChI=1S/C13H21NO2/c1-6-13(5)8-7-9-14(13)10-11(15)16-12(2,3)4/h1H,7-10H2,2-5H3
InChI Key:	IOVIFYGNRCQCJE-UHFFFAOYSA-N
LogP:	1.75370

Publication Number	Title	Priority Date
US-2020155567-A1	Treatment of cancers using a combination comprising parp inhibitors, temozolomide and/or radiation therapy	20170717
WO-2019015561-A1	TREATMENT OF CANCERS USING A COMBINATION COMPRISING INHIBITORS OF PARP, TEMOZOLOMIDE AND / OR RADIOTHERAPY	20170717
US-2020157103-A1	Crystalline forms of salts of fused tera or penta-cyclic dihydrodiazepinocarazolones, and uses thereof	20170228
US-10899763-B2	Crystalline forms of salts of fused penta-cyclic dihydrodiazepinocarbazolones, and uses thereof	20170228
US-2020030339-A1	Treatment cancers using a combination comprising parp inhibitors	20160927

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Complexity:	321
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.157228913
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.157228913
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2