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trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone - >95.0%(HPLC)(T), high purity , CAS No.33224-01-0

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trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone - >95.0%(HPLC)(T), high purity , CAS No.33224-01-0

COA

Grade & Purity:

≥95%(HPLC)(T)

Cas Number: 33224-01-0
Molecular Weight: 220.23
MDL number: MFCD00075394
PubChem CID: 671220
PubChem SID: 488191034

In stock

Item Number

T162149

Grouped product items
SKU	Size	Availability	Price
T162149-10mg	10mg	3	$9.90
T162149-100mg	100mg	3	$10.90
T162149-1g	1g	2	$38.90
T162149-5g	5g	2	$114.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	(2S,3S)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid \| AKOS015955815 \| rac-(2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid \| trans-4'-Carboxycotinine \| Z2306740458 \| trans-1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-c
Specifications & Purity	≥95%(HPLC)(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyrrolidinylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyrrolidinylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidinylpyridines
Alternative Parents	Alkaloids and derivatives Pyrrolidine carboxylic acids Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrolidinylpyridine - Alkaloid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidinylpyridines. These are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring.
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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488191034
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191034
IUPAC Name	(2S,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
INCHI	InChI=1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)/t8-,10+/m0/s1
InChIKey	DEYLVDCFTICBTB-WCBMZHEXSA-N
Smiles	CN1C(C(CC1=O)C(=O)O)C2=CN=CC=C2
Isomeric SMILES	CN1[C@@H]([C@H](CC1=O)C(=O)O)C2=CN=CC=C2
WGK Germany	3
PubChem CID	671220
Molecular Weight	220.23
Reaxy-Rn	658821

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
K1813131	Certificate of Analysis	Sep 15, 2022	T162149

Chemical and Physical Properties

Molecular Weight	220.220 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	220.085 Da
Monoisotopic Mass	220.085 Da
Topological Polar Surface Area	70.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	306.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
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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