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2-(1-methyl-5-oxopyrrolidin-3-yl)acetic acid - 97%, high purity , CAS No.933759-81-0

COA

Grade & Purity:

≥97%

Cas Number: 933759-81-0
Molecular Weight: 157.17
PubChem CID: 69089198

In stock

Item Number

A635191

Grouped product items
SKU	Size	Availability	Price
A635191-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$218.90
A635191-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90
A635191-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
A635191-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,048.90

Basic Description

Synonyms	1-Methyl-5-oxopyrrolidine-3-acetic Acid \| 933759-81-0 \| MFCD20660264 \| SCHEMBL4553182 \| AC7342 \| SY237682 \| 2-(1-methyl-5-oxopyrrolidin-3-yl)aceticacid \| 2-(1-methyl-5-oxopyrrolidin-3-yl)acetic acid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Heterocyclic fatty acids
Alternative Parents	Branched fatty acids Pyrrolidine-2-ones N-alkylpyrrolidines N-acyl amines Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Heterocyclic fatty acid - Branched fatty acid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(1-methyl-5-oxopyrrolidin-3-yl)acetic acid
INCHI	InChI=1S/C7H11NO3/c1-8-4-5(2-6(8)9)3-7(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKey	GIFZQJHZLDAKOK-UHFFFAOYSA-N
Smiles	CN1CC(CC1=O)CC(=O)O
Isomeric SMILES	CN1CC(CC1=O)CC(=O)O
PubChem CID	69089198
Molecular Weight	157.17

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	157.170 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	157.074 Da
Monoisotopic Mass	157.074 Da
Topological Polar Surface Area	57.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	190.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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