Cas no 1866721-79-0 (3-Amino-3-(2-methylcyclohexyl)propanoic acid)

3-Amino-3-(2-methylcyclohexyl)propanoic acid is a chiral β-amino acid derivative featuring a 2-methylcyclohexyl substituent, which imparts steric and electronic influences on its reactivity. This compound is valuable in synthetic organic chemistry, particularly for the preparation of peptidomimetics and constrained peptide analogs due to its rigid cyclohexyl backbone. The stereochemistry of the 2-methyl group can be leveraged to induce diastereoselectivity in reactions. Its carboxylic acid and amino functionalities allow for further derivatization, making it a versatile intermediate in pharmaceutical and agrochemical research. The structural rigidity also enhances metabolic stability in bioactive molecules. Suitable for asymmetric synthesis and medicinal chemistry applications.
3-Amino-3-(2-methylcyclohexyl)propanoic acid structure
1866721-79-0 structure
Product Name:3-Amino-3-(2-methylcyclohexyl)propanoic acid
CAS No:1866721-79-0
MF:C10H19NO2
MW:185.26336312294
CID:5702878
PubChem ID:131166202
Update Time:2025-05-22

3-Amino-3-(2-methylcyclohexyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanepropanoic acid, β-amino-2-methyl-
    • 1866721-79-0
    • 3-Amino-3-(2-methylcyclohexyl)propanoic acid
    • EN300-1286627
    • 3-Amino-3-(2-methylcyclohexyl)propanoicacid
    • Inchi: 1S/C10H19NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)
    • InChI Key: TUCAPWJJIBSTQZ-UHFFFAOYSA-N
    • SMILES: OC(CC(C1CCCCC1C)N)=O

Computed Properties

  • Exact Mass: 185.141578849g/mol
  • Monoisotopic Mass: 185.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.047±0.06 g/cm3(Predicted)
  • Boiling Point: 317.7±25.0 °C(Predicted)
  • pka: 3.62±0.12(Predicted)

3-Amino-3-(2-methylcyclohexyl)propanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1286627-1.0g
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
1g
$0.0 2023-06-07
Enamine
EN300-1286627-50mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
50mg
$647.0 2023-10-01
Enamine
EN300-1286627-100mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
100mg
$678.0 2023-10-01
Enamine
EN300-1286627-250mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
250mg
$708.0 2023-10-01
Enamine
EN300-1286627-500mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
500mg
$739.0 2023-10-01
Enamine
EN300-1286627-1000mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
1000mg
$770.0 2023-10-01
Enamine
EN300-1286627-2500mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
2500mg
$1509.0 2023-10-01
Enamine
EN300-1286627-5000mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
5000mg
$2235.0 2023-10-01
Enamine
EN300-1286627-10000mg
3-amino-3-(2-methylcyclohexyl)propanoic acid
1866721-79-0
10000mg
$3315.0 2023-10-01

Additional information on 3-Amino-3-(2-methylcyclohexyl)propanoic acid

3-Amino-3-(2-methylcyclohexyl)propanoic Acid: A Comprehensive Overview

The compound 3-Amino-3-(2-methylcyclohexyl)propanoic acid, with the CAS number 1866721-79-0, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines an amino group and a carboxylic acid group attached to a cyclohexane ring substituted with a methyl group. The combination of these functional groups and the cyclic structure provides this molecule with a diverse range of potential applications, particularly in drug design and development.

Recent advancements in synthetic chemistry have enabled researchers to explore novel methods for the synthesis of 3-Amino-3-(2-methylcyclohexyl)propanoic acid. One such approach involves the use of asymmetric catalysis, which not only enhances the efficiency of the synthesis process but also allows for the selective formation of enantiomers. This is particularly important in pharmaceutical applications, where stereochemistry plays a crucial role in determining the efficacy and safety of a drug.

The structural properties of 3-Amino-3-(2-methylcyclohexyl)propanoic acid make it an interesting candidate for studying molecular interactions. The cyclohexane ring contributes to the molecule's rigidity, while the amino and carboxylic acid groups provide sites for hydrogen bonding and other intermolecular interactions. These properties are being leveraged in the development of new materials, including biocompatible polymers and drug delivery systems.

In terms of biological activity, 3-Amino-3-(2-methylcyclohexyl)propanoic acid has shown promise as a precursor for bioactive compounds. For instance, it can be used as a building block for peptide synthesis, where its unique structure can impart specific functional properties to the resulting peptides. Additionally, recent studies have explored its potential as an inhibitor of certain enzymes, highlighting its role in therapeutic interventions.

The application of computational chemistry tools has further enhanced our understanding of this compound's behavior at the molecular level. Molecular docking studies have revealed that 3-Amino-3-(2-methylcyclohexyl)propanoic acid exhibits favorable binding affinities towards several protein targets, suggesting its potential as a lead compound in drug discovery programs. Furthermore, quantum mechanical calculations have provided insights into its electronic structure, which is crucial for predicting its reactivity in various chemical environments.

In conclusion, 3-Amino-3-(2-methylcyclohexyl)propanoic acid, with CAS number 1866721-79-0, represents a versatile molecule with significant potential across multiple disciplines. Its unique structure, combined with advancements in synthetic and computational techniques, positions it as a valuable tool in both academic research and industrial applications. As research continues to unfold, this compound is expected to contribute even more to our understanding of molecular design and function.

Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent