Cas no 13380-36-4 ((trans)-4-Propyl-1-methyl-L-proline)

(trans)-4-Propyl-1-methyl-L-proline is a non-proteinogenic proline derivative characterized by its unique stereochemistry and functional group modifications. The trans configuration at the 4-position, combined with the propyl substituent, enhances conformational rigidity, making it valuable in peptide design and medicinal chemistry. The 1-methyl group further restricts backbone flexibility, improving metabolic stability and bioavailability. This compound is particularly useful in the synthesis of constrained peptides and peptidomimetics, where controlled stereochemistry and side-chain interactions are critical. Its structural features also facilitate studies on enzyme inhibition and receptor binding. High purity and well-defined stereochemistry ensure reproducibility in research applications.
(trans)-4-Propyl-1-methyl-L-proline structure
13380-36-4 structure
Product Name:(trans)-4-Propyl-1-methyl-L-proline
CAS No:13380-36-4
MF:C9H17NO2
MW:171.23678278923
CID:899777
PubChem ID:22798271
Update Time:2025-05-21

(trans)-4-Propyl-1-methyl-L-proline Chemical and Physical Properties

Names and Identifiers

    • (trans)-4-Propyl-1-methyl-L-proline
    • (trans)-4-Propyl-1-m
    • (2S,4Z)-1-methyl-4-propylidenepyrrolidine-2-carboxylic acid
    • 1-Methyl-4-propylproline
    • (2S,4R)-4-Propyl-hygric Acid
    • (2S,4R)-4-Propyl-1-Methylpyrrolidine-2-carboxylic Acid
    • Inchi: 1S/C9H17NO2/c1-3-4-7-5-8(9(11)12)10(2)6-7/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
    • InChI Key: MAWGMRQFCUEYCT-SFYZADRCSA-N
    • SMILES: OC([C@@H]1C[C@@H](CCC)CN1C)=O

Computed Properties

  • Exact Mass: 171.12600
  • Monoisotopic Mass: 171.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.54000
  • LogP: 1.12930

(trans)-4-Propyl-1-methyl-L-proline Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(trans)-4-Propyl-1-methyl-L-proline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
P837200-10mg
(trans)-4-Propyl-1-methyl-L-proline
13380-36-4
10mg
$184.00 2023-05-17
TRC
P837200-100mg
(trans)-4-Propyl-1-methyl-L-proline
13380-36-4
100mg
$ 1800.00 2023-09-06
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1505743-1g
(2S,4R)-1-Methyl-4-propylpyrrolidine-2-carboxylic acid
13380-36-4 98%
1g
¥22842.00 2024-08-09

Additional information on (trans)-4-Propyl-1-methyl-L-proline

Comprehensive Analysis of (trans)-4-Propyl-1-methyl-L-proline (CAS No. 13380-36-4): Properties, Applications, and Research Insights

In the realm of organic chemistry and pharmaceutical research, (trans)-4-Propyl-1-methyl-L-proline (CAS No. 13380-36-4) has garnered significant attention due to its unique structural properties and potential applications. This compound, classified as a modified L-proline derivative, is characterized by its trans-configuration and the presence of a propyl group at the 4-position, along with a methyl substitution at the 1-position. Such modifications render it a valuable building block in peptide synthesis and drug discovery, aligning with current trends in precision medicine and bioconjugation technologies.

The molecular formula of (trans)-4-Propyl-1-methyl-L-proline is C9H17NO2, with a molar mass of 171.24 g/mol. Its stereochemistry plays a pivotal role in its biological activity, as the trans-orientation of substituents influences its conformational stability and interactions with enzymes or receptors. Researchers have explored its utility in designing peptidomimetics, a hot topic in drug development aimed at mimicking natural peptides while enhancing metabolic stability. This aligns with frequent search queries such as "L-proline derivatives in drug design" and "role of stereochemistry in bioactive molecules."

From a synthetic perspective, CAS No. 13380-36-4 is often employed as a chiral auxiliary or intermediate in asymmetric synthesis. Its hydrophobic propyl chain enhances lipid solubility, making it relevant in studies of blood-brain barrier penetration—a key focus area in neurodegenerative disease research. Recent publications highlight its incorporation into macrocyclic peptides, addressing the growing demand for oral bioavailability in therapeutic agents. These aspects resonate with trending searches like "improving peptide drug delivery" and "chiral building blocks for pharmaceuticals."

In the context of green chemistry, the compound’s synthetic routes have been optimized to reduce hazardous byproducts, reflecting the industry’s shift toward sustainable methodologies. Analytical techniques such as HPLC and NMR spectroscopy are routinely used to verify its purity and configuration, ensuring compliance with stringent regulatory standards. This emphasis on quality control responds to common queries like "analytical methods for proline derivatives" and "CAS number verification protocols."

Beyond pharmaceuticals, (trans)-4-Propyl-1-methyl-L-proline finds niche applications in agricultural chemistry, particularly in the development of plant growth regulators. Its structural motifs are investigated for their ability to modulate enzymatic pathways in crops, a subject gaining traction due to global food security concerns. This interdisciplinary relevance bridges gaps between medicinal chemistry and agrochemical innovation, topics frequently explored in academic and industrial forums.

Ongoing research continues to uncover novel roles for this compound, particularly in catalysis and material science. For instance, its integration into metal-organic frameworks (MOFs) demonstrates versatility in non-biological applications. Such advancements cater to search trends like "amino acids in materials science" and "hybrid organic-inorganic compounds." As the scientific community prioritizes multifunctional molecules, CAS No. 13380-36-4 remains a compelling case study in molecular design.

In summary, (trans)-4-Propyl-1-methyl-L-proline exemplifies the convergence of structural ingenuity and practical utility. Its adaptability across diverse fields—from peptide therapeutics to sustainable agriculture—positions it as a compound of enduring interest. For researchers and industry professionals, understanding its properties and applications provides a strategic advantage in addressing contemporary challenges in chemical biology and molecular engineering.

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