(R)-2-Methylbutanoic acid - ≥95% , CAS No.32231-50-8

CAS: 32231-50-8 Cat. No.: R588721 Molecular Weight: 102.13 EC Number: 995-236-2

GRADE & PURITY ≥95%

Synonyms

(2R)-2-methylbutanoic acid | STL164328 | (R)-2-methylbutyric acid | (R)-2-methyl-butyric acid | CHEBI:45525 | AKOS005363826 | EN300-100504 | (R)-2-Methylbutanoic acid | PD007278 | DTXSID8091536 | (R)-2-methylbutanoate | (R)-2-Methylbutanoicacid | Butanoic

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(2R)-2-methylbutanoic acid | STL164328 | (R)-2-methylbutyric acid | (R)-2-methyl-butyric acid | CHEBI:45525 | AKOS005363826 | EN300-100504 | (R)-2-Methylbutanoic acid | PD007278 | DTXSID8091536 | (R)-2-methylbutanoate | (R)-2-Methylbutanoicacid | Butanoic

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC(C)C(=O)O
• IUPAC Name: (2R)-2-methylbutanoic acid
• InChIKey: WLAMNBDJUVNPJU-SCSAIBSYSA-N
• INCHI: 1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1
• Isomeric SMILES: CC[C@@H](C)C(=O)O
• Molecular Weight: 102.13
• Reaxy-Rn: 1098537
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098537&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates
        • Level5 Branched fatty acids
          • Level6 Methyl-branched fatty acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Branched fatty acids
• Direct Parent: Methyl-branched fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
• External Descriptors: 2-methylbutyric acid

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

Associated Targets(non-human)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 102.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.500
• 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

References

1. Chen-Yan Zheng, Hai-Long Qian, Cheng Yang, Xu-Qin Ran, Xiu-Ping Yan.  (2023)  Pure Covalent-Organic Framework Membrane as a Label-Free Biomimetic Nanochannel for Sensitive and Selective Sensing of Chiral Flavor Substances.  ACS Sensors,      [PMID:38054443] [10.1021/acssensors.3c01849]