Cas no 160844-41-7 (b-Alanine,N-(2-aminoethyl)-N-methyl-)

Technical Introduction: N-(2-Aminoethyl)-N-methyl-β-alanine is a modified β-amino acid derivative characterized by its unique structural features, including an ethylamino and methyl-substituted amine group. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a building block for peptidomimetics or chelating agents. Its bifunctional nature, with both amine and carboxylate moieties, enables versatile reactivity in coupling reactions or coordination chemistry. The methyl substitution may enhance metabolic stability in bioactive molecules. This derivative is typically supplied as a high-purity solid, suitable for controlled reactions. Further applications may include catalysis or material science, where tailored amino acid frameworks are required.
b-Alanine,N-(2-aminoethyl)-N-methyl- structure
160844-41-7 structure
Product Name:b-Alanine,N-(2-aminoethyl)-N-methyl-
CAS No:160844-41-7
MF:C6H14N2O2
MW:146.187561511993
CID:109600
PubChem ID:45088126
Update Time:2025-06-10

b-Alanine,N-(2-aminoethyl)-N-methyl- Chemical and Physical Properties

Names and Identifiers

    • b-Alanine,N-(2-aminoethyl)-N-methyl-
    • 3-[2-aminoethyl(methyl)amino]propanoic acid
    • beta-Alanine, N-(2-aminoethyl)-N-methyl- (9CI)
    • DTXSID80666244
    • AKOS011981277
    • 160844-41-7
    • SCHEMBL2560704
    • 3-[(2-AMINOETHYL)(METHYL)AMINO]PROPANOIC ACID
    • EN300-7213141
    • 3-((2-Aminoethyl)(methyl)amino)propanoic acid
    • 3-((2-Aminoethyl)(methyl)amino)propanoicacid
    • N-(2-Aminoethyl)-N-methyl-beta-alanine
    • Inchi: 1S/C6H14N2O2/c1-8(5-3-7)4-2-6(9)10/h2-5,7H2,1H3,(H,9,10)
    • InChI Key: CYSMADATNBUHAL-UHFFFAOYSA-N
    • SMILES: OC(CCN(C)CCN)=O

Computed Properties

  • Exact Mass: 146.10562
  • Monoisotopic Mass: 146.106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.6A^2
  • XLogP3: -3.5

Experimental Properties

  • PSA: 66.56

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Additional information on b-Alanine,N-(2-aminoethyl)-N-methyl-

Compound Introduction: b-Alanine, N-(2-aminoethyl)-N-methyl- (CAS No. 160844-41-7)

The compound b-Alanine, N-(2-aminoethyl)-N-methyl-, with the CAS number 160844-41-7, is a specialized organic molecule that has garnered significant attention in the field of biochemical research and pharmaceutical development. This compound, characterized by its unique structural and functional properties, exhibits potential applications in various scientific domains, particularly in the synthesis of novel biomolecules and the exploration of enzyme mechanisms.

Structurally, b-Alanine, N-(2-aminoethyl)-N-methyl- is derived from the well-known amino acid b-Alanine, which is a non-proteinogenic amino acid commonly found in certain peptides and proteins. The introduction of a N-(2-aminoethyl)-N-methyl side chain into the molecule modifies its physicochemical properties, enhancing its solubility and reactivity. This modification opens up new avenues for its use in biochemical assays and as a building block for more complex molecules.

In recent years, the compound has been studied for its role in the development of enzyme inhibitors and activators. Its unique structural motif allows it to interact with specific enzymatic sites, making it a promising candidate for drug design. For instance, researchers have explored its potential in inhibiting certain proteases by mimicking natural substrates or transition states. This approach has shown promise in preclinical studies, where the compound demonstrated selective binding to target enzymes without significant off-target effects.

Moreover, b-Alanine, N-(2-aminoethyl)-N-methyl- has been investigated for its applications in materials science and nanotechnology. Its ability to form stable complexes with metal ions makes it an excellent candidate for use in metal-organic frameworks (MOFs) and supramolecular assemblies. These materials have a wide range of applications, from gas storage and separation to catalysis and sensing.

The compound's versatility also extends to its role as an intermediate in the synthesis of more complex biomolecules. Researchers have utilized b-Alanine, N-(2-aminoethyl)-N-methyl- as a precursor in the development of novel peptides and peptidomimetics. These molecules have shown potential in targeting specific biological pathways, making them valuable tools in drug discovery and therapeutic intervention.

Recent advancements in computational chemistry have further enhanced the understanding of b-Alanine, N-(2-aminoethyl)-N-methyl-'s interactions with biological targets. Molecular dynamics simulations and quantum mechanical calculations have provided insights into its binding affinity and mechanism of action. These computational studies have not only validated experimental findings but also predicted new functional roles for the compound.

The pharmaceutical industry has also taken note of b-Alanine, N-(2-aminoethyl)-N-methyl-'s potential. Several drug candidates currently under development incorporate this moiety to improve pharmacokinetic properties such as solubility and bioavailability. Its incorporation into drug molecules has been shown to enhance their stability and reduce toxicity, making it an attractive feature for medicinal chemists.

In conclusion, b-Alanine, N-(2-aminoethyl)-N-methyl- (CAS No. 160844-41-7) is a multifaceted compound with significant potential across multiple scientific disciplines. Its unique structure and functional properties make it a valuable tool in biochemical research, pharmaceutical development, and materials science. As research continues to uncover new applications for this compound, its importance is likely to grow further.

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