11-(Methacryloylamino)undecanoic acid - ≥98% , CAS No.59178-93-7

CAS: 59178-93-7 Cat. No.: M332110 Molecular Weight: 269.39

GRADE & PURITY ≥98%

Synonyms

YWRMFVZWFSDHFF-UHFFFAOYSA-N | FT-0680525 | AKOS005070859 | 11-[(2-Methylacryloyl)amino]undecanoic acid | 6T-0302 | 11-(methacryloylamino)undecanoic acid | 11-(2-methylprop-2-enamido)undecanoic acid | 11-(METHACRYLOYLAMINO)UNDECANOICACID | 11-Methacrylamid

Storage

Room temperature

Shipped In

Normal

Overview

The synthesis of carboxylic acid-11- ( methacrylamido ) undecanoic acid ( 11-MAU ) has become increasingly prominent in the field of biochemistry and research. This compound is a derivative of the natural amino acid undecanoic acid and has been shown to be used in a series of laboratory experiments. 11- ( methacrylamido ) undecanoic acid is used in a variety of scientific research, such as enzyme inhibition tests, drug metabolism and new drug synthesis. It is also used as a reaction intermediate in polymer synthesis and organic synthesis. It has been found that 11- ( methacrylamido ) undecanoic acid can inhibit a variety of enzymes, including cytochrome P450 enzymes, phosphatases and proteases. In addition, it has been found to limit the activity of a variety of kinases, including tyrosine kinases and serine / threonine  kinases.

Specifications

Synonyms

YWRMFVZWFSDHFF-UHFFFAOYSA-N | FT-0680525 | AKOS005070859 | 11-[(2-Methylacryloyl)amino]undecanoic acid | 6T-0302 | 11-(methacryloylamino)undecanoic acid | 11-(2-methylprop-2-enamido)undecanoic acid | 11-(METHACRYLOYLAMINO)UNDECANOICACID | 11-Methacrylamid

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=C)C(=O)NCCCCCCCCCCC(=O)O
• IUPAC Name: 11-(2-methylprop-2-enoylamino)undecanoic acid
• InChIKey: YWRMFVZWFSDHFF-UHFFFAOYSA-N
• INCHI: 1S/C15H27NO3/c1-13(2)15(19)16-12-10-8-6-4-3-5-7-9-11-14(17)18/h1,3-12H2,2H3,(H,16,19)(H,17,18)
• Isomeric SMILES: CC(=C)C(=O)NCCCCCCCCCCC(=O)O
• Molecular Weight: 269.39
• Reaxy-Rn: 1962658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1962658&ln=

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: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Amino fatty acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

• Melt Point(°C): 73-74°
• Molecular Weight: 269.380 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 269.199 Da
• Monoisotopic Mass: 269.199 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 287.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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