Cas no 1279048-81-5 ((3S)-pyrrolidine-3-carboxamide hydrochloride)

(3S)-Pyrrolidine-3-carboxamide hydrochloride is a chiral pyrrolidine derivative widely utilized as a key intermediate in pharmaceutical synthesis and organic chemistry research. Its stereospecific (S)-configuration ensures high enantioselectivity in asymmetric synthesis, making it valuable for the development of bioactive compounds. The hydrochloride salt form enhances stability and solubility, facilitating handling and reactivity in aqueous or polar solvent systems. This compound is particularly useful in the preparation of peptidomimetics, enzyme inhibitors, and other pharmacologically active molecules. Its rigid pyrrolidine scaffold contributes to conformational constraint, improving binding affinity in target interactions. The product is typically supplied with high purity (>98%) to meet rigorous research and industrial application standards.
(3S)-pyrrolidine-3-carboxamide hydrochloride structure
1279048-81-5 structure
Product Name:(3S)-pyrrolidine-3-carboxamide hydrochloride
CAS No:1279048-81-5
MF:C5H11ClN2O
MW:150.606640100479
MDL:MFCD22421737
CID:1057482
Update Time:2025-10-17

(3S)-pyrrolidine-3-carboxamide hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-Pyrrolidine-3-carboxamide Hydrochloride
    • (3S)-pyrrolidine-3-carboxamide,hydrochloride
    • (3S)-pyrrolidine-3-carboxamide hydrochloride
    • (S)-Pyrrolidine-3-carboxamide HCl
    • AK165465
    • 4853AJ
    • PB28896
    • AB0061790
    • 3-Pyrrolidinecarboxamide, hydrochloride (1:1), (3S)-
    • MDL: MFCD22421737
    • Inchi: 1S/C5H10N2O.ClH/c6-5(8)4-1-2-7-3-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m0./s1
    • InChI Key: GCPFRHSIYOIWDY-WCCKRBBISA-N
    • SMILES: Cl.O=C([C@@H]1CNCC1)N

Computed Properties

  • Exact Mass: 150.05600
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 103
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • PSA: 56.11000
  • LogP: 1.36170

(3S)-pyrrolidine-3-carboxamide hydrochloride Security Information

(3S)-pyrrolidine-3-carboxamide hydrochloride 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%

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(3S)-pyrrolidine-3-carboxamide hydrochloride Related Literature

Additional information on (3S)-pyrrolidine-3-carboxamide hydrochloride

Comprehensive Overview of (3S)-Pyrrolidine-3-carboxamide Hydrochloride (CAS No. 1279048-81-5): Properties, Applications, and Innovations

(3S)-Pyrrolidine-3-carboxamide hydrochloride (CAS No. 1279048-81-5) is a chiral organic compound with significant relevance in pharmaceutical research and fine chemical synthesis. This pyrrolidine derivative is characterized by its stereospecific (3S)-configuration, which plays a crucial role in its biological activity and synthetic utility. The compound's hydrochloride salt form enhances its solubility and stability, making it a preferred choice for drug development and biochemical studies.

Recent advancements in small molecule therapeutics have spurred interest in (3S)-pyrrolidine-3-carboxamide hydrochloride due to its structural versatility. Researchers are exploring its potential as a building block for protease inhibitors, neurological modulators, and anti-inflammatory agents. The compound's pyrrolidine core is a common motif in FDA-approved drugs, underscoring its importance in medicinal chemistry.

From a synthetic perspective, CAS 1279048-81-5 is often utilized in asymmetric catalysis and peptide mimetics. Its carboxamide group allows for facile derivatization, enabling the creation of diverse structure-activity relationship (SAR) libraries. This adaptability aligns with current trends in high-throughput screening and fragment-based drug design, addressing the growing demand for targeted therapies.

The pharmaceutical industry's shift toward personalized medicine has further elevated the significance of chiral compounds like (3S)-pyrrolidine-3-carboxamide hydrochloride. Its enantiomeric purity (typically >98% ee) meets stringent regulatory requirements for GMP manufacturing. Analytical techniques such as HPLC and chiral chromatography are routinely employed to verify its stereochemical integrity, reflecting the compound's role in quality-by-design (QbD) paradigms.

Environmental and safety considerations are paramount in modern chemical workflows. (3S)-Pyrrolidine-3-carboxamide hydrochloride exhibits favorable green chemistry metrics, with several synthetic routes employing biocatalysis or flow chemistry to minimize waste. These approaches resonate with the industry's focus on sustainable synthesis and carbon footprint reduction.

In the context of drug delivery systems, the hydrochloride salt form of this pyrrolidine carboxamide demonstrates improved bioavailability compared to its free base counterpart. This property is particularly valuable for oral formulations, where pH-dependent solubility often limits efficacy. Recent patent filings highlight its incorporation into modified-release matrices and co-crystals, addressing challenges in pharmacokinetic optimization.

The compound's mechanism of action frequently intersects with G-protein-coupled receptors (GPCRs) and ion channel modulation, making it a subject of interest in central nervous system (CNS) research. Preclinical studies suggest potential applications in neurodegenerative disorders and pain management, though further clinical validation is required.

From a commercial standpoint, CAS 1279048-81-5 is available through specialized fine chemical suppliers with strict quality control protocols. Pricing trends reflect its niche application spectrum, with bulk quantities typically reserved for contract research organizations (CROs) and pharmaceutical developers. The compound's intellectual property landscape shows increasing activity, particularly in composition-of-matter patents and process patents.

Emerging technologies like AI-assisted drug discovery are leveraging compounds such as (3S)-pyrrolidine-3-carboxamide hydrochloride to accelerate hit-to-lead optimization. Machine learning models trained on molecular descriptors can predict its interactions with biological targets, reducing experimental iterations. This synergy between computational chemistry and traditional synthesis exemplifies the compound's relevance in digital transformation initiatives.

Quality standards for 1279048-81-5 typically include specifications for residual solvents, heavy metals, and chromatographic purity, conforming to ICH guidelines. Stability studies indicate optimal storage conditions at controlled room temperature with protection from moisture, ensuring long-term viability for research applications.

In conclusion, (3S)-Pyrrolidine-3-carboxamide hydrochloride represents a versatile scaffold bridging academic research and industrial applications. Its stereochemical precision, synthetic flexibility, and therapeutic potential position it as a valuable asset in the evolving landscape of precision medicine and small molecule innovation.

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