Methyl 2-oxo-1-pyrrolidineacetate - CAS 59776-88-4

Catalog:	BB030495
Product Name:	Methyl 2-oxo-1-pyrrolidineacetate
CAS:	59776-88-4
Synonyms:	methyl 2-(2-oxopyrrolidin-1-yl)acetate

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Computed Properties

IUPAC Name:	methyl 2-(2-oxopyrrolidin-1-yl)acetate
Description:	An impurity Piracetam which modulates Na+-flux at AMPA receptors.
Molecular Weight:	157.17
Molecular Formula:	C7H11NO3
Canonical SMILES:	COC(=O)CN1CCCC1=O
InChI:	InChI=1S/C7H11NO3/c1-11-7(10)5-8-4-2-3-6(8)9/h2-5H2,1H3
InChI Key:	HPDZYDTXCOFUOY-UHFFFAOYSA-N
Boiling Point:	291.3 °C at 760 mmHg
Purity:	98.5 %
Density:	1.131 g/mL at 25°C(lit.)
LogP:	-0.28030

Publication Number	Title	Priority Date
US-2020172540-A1	Tyk2 inhibitors and uses thereof	20181130
WO-2020112937-A1	Tyk2 inhibitors and uses thereof	20181130
WO-2019028666-A1	Method for synthesizing levetiracetam	20170808
US-2020270202-A1	Potent inhibitors of aspartate n-acetyl-transferase for the treatment of canavan disease	20160328
EP-2119429-A1	Cosmetic composition containing a dibenzoylmethane derivative and a pyrrolidinone derivative; method for photostabilising the dibenzoylmethane derivative	20080514

PMID	Publication Date	Title	Journal
20819285	20100801	Simultaneous determination of piracetam and its four impurities by RP-HPLC with UV detection	Journal of chromatographic science

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.07389321
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3