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1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 407634-05-3

Catalog:	BB024656
Product Name:	1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CAS:	407634-05-3
Synonyms:	1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
Description:	1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (CAS# 407634-05-3) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C8H13NO4
Canonical SMILES:	COCCN1CC(CC1=O)C(=O)O
InChI:	InChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChI Key:	SQFXUCKQOKOBLC-UHFFFAOYSA-N
Boiling Point:	390.3 °C at 760 mmHg
Purity:	95 %
Density:	1.256 g/cm³
MDL:	MFCD04989723
LogP:	-0.49620

Publication Number	Title	Priority Date
US-2013167307-A1	Composition comprising at least one 2-pyrrolidone functionalized in the 4 position with a carboxylic acid or amide, and at least one direct dye or a pigment for dyeing keratin fibres	20100609
US-8585779-B2	Composition comprising at least one 2-pyrrolidone functionalized in the 4 position with a carboxylic acid or amide, and at least one direct dye or a pigment for dyeing keratin fibres	20100609
WO-2011154460-A1	Composition comprising at least one 2-pyrrolidone functionalized in the 4 position with a carboxylic acid or amide, and at least one direct dye or a pigment for dyeing keratin fibres	20100609
US-2005043290-A1	Cyclic amine BACE-1 inhibitors having a heterocyclic substituent	20030808
US-2009312341-A1	Cyclic amine bace-1 inhibitors having a heterocyclic substituent	20030808

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Related Functional Groups

Pyrrolidines

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1-(5-Bromopentyl)pyrrolidine Hydrobromide
[36821-26-8]
Ethyl 2-oxopyrrolidine-3-carboxylate
[60298-18-2]
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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.08445790
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.08445790
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2