(R)-Methyl 2-oxooxazolidine-4-carboxylate - ≥97% , CAS No.144542-43-8

CAS: 144542-43-8 Cat. No.: M629255 Molecular Weight: 145.11 PubChem CID: 385465

GRADE & PURITY ≥97%

Synonyms

4-Oxazolidinecarboxylic acid, 2-oxo-, methyl ester, (4R)- | (R)-4-Carbomethoxyoxazolidin-2-one | 4-Oxazolidinecarboxylicacid,2-oxo-,methylester,(4R)-(9CI) | (R)-METHYL2-OXOOXAZOLIDINE-4-CARBOXYLATE | methyl (4R)-2-oxo-1,3-oxazolidine-4-carboxylate | (r)-4

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

4-Oxazolidinecarboxylic acid, 2-oxo-, methyl ester, (4R)- | (R)-4-Carbomethoxyoxazolidin-2-one | 4-Oxazolidinecarboxylicacid, 2-oxo-, methylester, (4R)-(9CI) | (R)-METHYL2-OXOOXAZOLIDINE-4-CARBOXYLATE | methyl (4R)-2-oxo-1, 3-oxazolidine-4-carboxylate | (r)-4

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1COC(=O)N1
• IUPAC Name: methyl (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
• InChIKey: PZIWTVKXOORXAZ-GSVOUGTGSA-N
• INCHI: 1S/C5H7NO4/c1-9-4(7)3-2-10-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m1/s1
• Isomeric SMILES: COC(=O)[C@H]1COC(=O)N1
• Alternate CAS: 144542-43-8
• PubChem CID: 385465
• NSC Number: 676713
• Molecular Weight: 145.11

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: Oxazolidinones Methyl esters Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Oxazolidinone - Oxazolidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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

Data sources

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

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A498 (42825 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 145.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.038 Da
• Monoisotopic Mass: 145.038 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 167.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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