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Methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetate - ≥95%, high purity , CAS No.85614-52-4

COA

Grade & Purity:

≥95%

Cas Number: 85614-52-4
Molecular Weight: 173.17
PubChem CID: 44154173

In stock

Item Number

M732048

Grouped product items
SKU	Size	Availability	Price	Qty
M732048-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Methyl esters Tertiary amines Secondary alcohols Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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	methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetate
INCHI	InChI=1S/C7H11NO4/c1-12-7(11)4-8-3-5(9)2-6(8)10/h5,9H,2-4H2,1H3
InChIKey	YLLVYVFTLNSJMR-UHFFFAOYSA-N
Smiles	COC(=O)CN1CC(CC1=O)O
Isomeric SMILES	COC(=O)CN1CC(CC1=O)O
PubChem CID	44154173
Molecular Weight	173.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	173.170 g/mol
XLogP3	-1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	173.069 Da
Monoisotopic Mass	173.069 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	204.000
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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Methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetate - ≥95%, high purity , CAS No.85614-52-4

Basic Description