α-Aminoisobutyric acid - ≥98% , CAS No.62-57-7

CAS: 62-57-7 Cat. No.: A117156 Molecular Weight: 103.12 Beilstein Registry Number: 506496 EC Number: 200-544-0

GRADE & PURITY ≥98%

Synonyms

4-04-00-02616 (Beilstein Handbook Reference) | s6270 | a-Aminoisobutyrate | alpha-Aminoisobutyrate | BP-12097 | CHEBI:27971 | Propionic acid, 2-amino-2-methyl- | .alpha.,.alpha.-Dimethylglycine | 2-methyl-L-alanine | A22742 | 2-methyl alanine | DB02952 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-04-00-02616 (Beilstein Handbook Reference) | s6270 | a-Aminoisobutyrate | alpha-Aminoisobutyrate | BP-12097 | CHEBI:27971 | Propionic acid, 2-amino-2-methyl- | .alpha., .alpha.-Dimethylglycine | 2-methyl-L-alanine | A22742 | 2-methyl alanine | DB02952 |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751004
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751004
• Canonical Smiles: CC(C)(C(=O)O)N
• IUPAC Name: 2-amino-2-methylpropanoic acid
• InChIKey: FUOOLUPWFVMBKG-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
• Isomeric SMILES: CC(C)(C(=O)O)N
• WGK Germany: 3
• RTECS: AY7000000
• Molecular Weight: 103.12
• Beilstein: 506496
• Reaxy-Rn: 506496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506496&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 Alpha amino acids

• 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 acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: Amino fatty acids

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(Human)

SLC36A1 Tchem Proton-coupled amino acid transporter 1 (102 Activities)

Discover Target: SLC36A1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water. Insoluble in alcohol and ether.
• Melt Point(°C): 335°C
• Molecular Weight: 103.120 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• 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

References

1. Mingyi Yu, Shule Zhang, Hangzhi Wu, Zheng Lian, Mingjia Zhang, Qin Zhong.  (2024)  Anionization of 2-Amino-2-methylpropanol for Efficient Low-Partial-Pressure Carbon Dioxide Capture.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c01581]

2. Weida Chen, Meisi Chen, Bin Jiang, Tong Lei, Feng Zhang, Zhibing Zhang.  (2024)  The improvement of ionic liquids on CO2 capture with biphasic absorbents.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152720]

3. Mingyi Yu, Di Zhang, Guojun Li, Xiaofang Shang, Zheng Lian, Chen Ji, Liang Jiao, Shule Zhang, Qin Zhong.  (2025)  Anionization modification to promote carbon capture: Effect of cations and a novel conductivity-based analytical method.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170870]