Ac-Met-OMe - ≥97% , CAS No.35671-83-1

CAS: 35671-83-1 Cat. No.: A588860 Molecular Weight: 205.28 EC Number: 845-264-5

GRADE & PURITY ≥97%

Synonyms

Methyl 2-(acetylamino)-4-(methylsulfanyl)butanoate # | METHYL (2S)-2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOATE | methyl (2S)-2-acetamido-4-methylsulfanylbutanoate | MFCD00038235 | N-Acetyl-L-methionine methyl ester | CCRIS 5538 | AKOS015908060 | YVMKSJIMTATAA

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Methyl 2-(acetylamino)-4-(methylsulfanyl)butanoate # | METHYL (2S)-2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOATE | methyl (2S)-2-acetamido-4-methylsulfanylbutanoate | MFCD00038235 | N-Acetyl-L-methionine methyl ester | CCRIS 5538 | AKOS015908060 | YVMKSJIMTATAA

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)NC(CCSC)C(=O)OC
• IUPAC Name: methyl (2S)-2-acetamido-4-methylsulfanylbutanoate
• InChIKey: YVMKSJIMTATAAS-ZETCQYMHSA-N
• INCHI: 1S/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H](CCSC)C(=O)OC
• Molecular Weight: 205.28
• Reaxy-Rn: 1725461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725461&ln=

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 Methionine and derivatives

• 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: Methionine and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid esters Fatty acid esters Methyl esters Acetamides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Fatty acyl - Acetamide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Chemical and Physical Properties

• Molecular Weight: 205.280 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 205.077 Da
• Monoisotopic Mass: 205.077 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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