Cas no 1245614-91-8 (1-Propanoylpyrrolidine-3-carboxylic acid)

1-Propanoylpyrrolidine-3-carboxylic acid structure
1245614-91-8 structure
Product Name:1-Propanoylpyrrolidine-3-carboxylic acid
CAS No:1245614-91-8
MF:C8H13NO3
MW:171.193722486496
CID:2150639
PubChem ID:21076150
Update Time:2025-09-18

1-Propanoylpyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-propanoylpyrrolidine-3-carboxylic acid
    • NE28194
    • 1-Propanoylpyrrolidine-3-carboxylic acid
    • Inchi: 1S/C8H13NO3/c1-2-7(10)9-4-3-6(5-9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
    • InChI Key: XHYADCZIBMBFHO-UHFFFAOYSA-N
    • SMILES: OC(C1CN(C(CC)=O)CC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 203
  • Topological Polar Surface Area: 57.6

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 371.3±35.0 °C at 760 mmHg
  • Flash Point: 178.3±25.9 °C
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

1-Propanoylpyrrolidine-3-carboxylic acid Security Information

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Additional information on 1-Propanoylpyrrolidine-3-carboxylic acid

Introduction to 1-Propanoylpyrrolidine-3-carboxylic acid (CAS No. 1245614-91-8)

1-Propanoylpyrrolidine-3-carboxylic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1245614-91-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This compound belongs to the class of pyrrolidine derivatives, which have garnered considerable attention due to their diverse biological activities and potential applications in drug development. The molecular structure of 1-Propanoylpyrrolidine-3-carboxylic acid features a propanoyl group attached to a pyrrolidine ring, with a carboxylic acid moiety at the third position. Such structural features make it a versatile intermediate for synthesizing more complex molecules with therapeutic properties.

The synthesis and characterization of 1-Propanoylpyrrolidine-3-carboxylic acid have been subjects of extensive study in academic and industrial laboratories. Recent advancements in synthetic methodologies have enabled the efficient preparation of this compound, often through multi-step reactions involving condensation, cyclization, and functional group transformations. These synthetic routes not only enhance yield but also improve purity, making the compound more suitable for downstream applications. The structural integrity and chemical stability of 1-Propanoylpyrrolidine-3-carboxylic acid are critical factors that influence its utility in pharmaceutical formulations.

In the context of pharmaceutical research, 1-Propanoylpyrrolidine-3-carboxylic acid has been explored for its potential role as a precursor in the development of bioactive molecules. Pyrrolidine derivatives are known for their involvement in various biological processes, including enzyme inhibition and receptor binding. The presence of both an acyl group and a carboxylic acid functionality provides multiple sites for chemical modification, allowing researchers to tailor the compound’s properties for specific therapeutic targets. For instance, modifications at the propanoyl moiety can influence lipophilicity, while alterations at the carboxylic acid group can affect solubility and interaction with biological systems.

Recent studies have highlighted the significance of 1-Propanoylpyrrolidine-3-carboxylic acid in medicinal chemistry. Researchers have demonstrated its utility as a building block in the synthesis of novel compounds with anti-inflammatory, analgesic, and even anticancer properties. The pyrrolidine scaffold is particularly valuable due to its ability to mimic natural products and bioactive peptides, thereby facilitating the design of molecules that can interact effectively with biological targets. The carboxylic acid group further enhances its versatility by enabling salt formation and conjugation with other pharmacophores.

The pharmacokinetic profile of derivatives derived from 1-Propanoylpyrrolidine-3-carboxylic acid is another area of active investigation. Understanding how these compounds are absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing their therapeutic efficacy. Computational modeling and experimental techniques have been employed to predict and verify the pharmacokinetic behavior of these derivatives. Such studies not only provide insights into their mechanism of action but also help in designing more effective drug candidates.

Moreover, the role of 1-Propanoylpyrrolidine-3-carboxylic acid in drug discovery extends beyond its use as an intermediate. It has been incorporated into libraries of compounds for high-throughput screening (HTS) to identify potential lead molecules for various diseases. The diversity introduced by its structural features allows for the exploration of multiple biological pathways simultaneously. This approach has led to the identification of several promising candidates that are currently undergoing further optimization.

The environmental and safety considerations associated with 1-Propanoylpyrrolidine-3-carboxylic acid are also important aspects to address. While it is not classified as a hazardous material under standard regulatory guidelines, proper handling procedures must be followed to ensure safe laboratory practices. Storage conditions, such as temperature control and moisture protection, are essential to maintain its stability and prevent degradation. Additionally, waste disposal must comply with environmental regulations to minimize ecological impact.

In conclusion, 1-Propanoylpyrrolidine-3-carboxylic acid (CAS No. 1245614-91-8) represents a valuable asset in pharmaceutical research due to its structural versatility and potential biological activities. Ongoing studies continue to uncover new applications for this compound and its derivatives, reinforcing its importance in drug development efforts. As synthetic methodologies advance and our understanding of biological systems deepens, the role of 1-Propanoylpyrrolidine-3-carboxylic acid is expected to expand further, contributing to innovative solutions in medicine.

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