Cas no 94108-46-0 (1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid)

1-3-(Dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid is a versatile pyrrolidine derivative with a reactive carboxylic acid group and a tertiary amine functionality. Its structural features make it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and bioactive compounds. The presence of both polar and ionizable groups enhances its solubility in aqueous and organic solvents, facilitating its use in diverse reaction conditions. The dimethylamino propyl side chain introduces basicity, enabling further functionalization or salt formation. This compound’s balanced reactivity and stability make it suitable for applications in medicinal chemistry, such as the synthesis of peptidomimetics or prodrugs, where tailored physicochemical properties are critical.
1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid structure
94108-46-0 structure
Product Name:1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid
CAS No:94108-46-0
MF:C10H18N2O3
MW:214.261522769928
MDL:MFCD04989727
CID:1078613
PubChem ID:3023569
Update Time:2025-05-19

1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Dimethylamino-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
    • 1-(3-(Dimethylamino)propyl)-5-oxopyrrolidine-3-carboxylicacid
    • Z240089726
    • 1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
    • EN300-33679
    • 1-[3-(Dimethylamino)propyl]-5-oxo-3-pyrrolidinecarboxylic acid
    • NCGC00245523-01
    • SCHEMBL15082377
    • CCG-120942
    • 1-(3-(Dimethylamino)propyl)-5-oxopyrrolidine-3-carboxylic acid
    • CS-0246678
    • 94108-46-0
    • MLS000067333
    • HMS2489G20
    • 3BS7YLC9P6
    • BISINDOLYLMALEIMIDEVII
    • F3099-6151
    • AKOS000140196
    • CHEMBL1723234
    • EINECS 302-386-9
    • AKOS016040998
    • 1-[3-(Dimethylamino)propyl]-2-oxo-4-pyrrolidinecarboxylic acid
    • SMR000124758
    • MFCD04989727
    • 3-Pyrrolidinecarboxylic acid, 1-[3-(dimethylamino)propyl]-5-oxo-
    • DTXSID00916455
    • BAS 03320470
    • VS-03530
    • NS00064259
    • MUPFIGLSLOVQLZ-UHFFFAOYSA-N
    • STK787106
    • BBL012809
    • 1-[3-(Dimethylamino)propyl]-5-oxo-pyrrolidine-3-carboxylic acid
    • 1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid
    • MDL: MFCD04989727
    • Inchi: 1S/C10H18N2O3/c1-11(2)4-3-5-12-7-8(10(14)15)6-9(12)13/h8H,3-7H2,1-2H3,(H,14,15)
    • InChI Key: MUPFIGLSLOVQLZ-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)O)CN1CCCN(C)C

Computed Properties

  • Exact Mass: 214.132
  • Monoisotopic Mass: 214.132
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 253
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.9
  • Topological Polar Surface Area: 60.8?2

Experimental Properties

  • Density: 1.171
  • Boiling Point: 391.2°C at 760 mmHg
  • Flash Point: 190.4°C
  • Refractive Index: 1.515

1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid Pricemore >>

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Additional information on 1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid

1-3-(Dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic Acid (CAS No. 94108-46-0)

The compound 1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid, identified by the CAS registry number CAS No. 94108-46-0, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of amino acids, specifically featuring a pyrrolidine ring with a carboxylic acid group and a dimethylamino substituent, which imparts unique chemical properties and biological activity.

Recent studies have highlighted the potential of this compound in various applications, particularly in drug discovery and development. The presence of the dimethylamino group enhances its ability to act as a bioisostere, making it a valuable tool in medicinal chemistry for designing new therapeutic agents. Researchers have explored its role in modulating enzyme activity, particularly in kinase inhibitors, where its structural features provide a platform for enhancing potency and selectivity.

The synthesis of 1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid involves multi-step organic reactions, including alkylation, cyclization, and oxidation processes. These methods have been optimized to achieve high yields and purity, ensuring its suitability for advanced biological assays and preclinical studies. The compound's stability under various reaction conditions has also been extensively studied, contributing to its reliability in laboratory settings.

In terms of biological activity, this compound exhibits promising results in vitro models, particularly in assays targeting neurodegenerative diseases such as Alzheimer's disease. Its ability to cross the blood-brain barrier (BBB) has been validated through pharmacokinetic studies, making it a candidate for central nervous system (CNS) drug development. Additionally, its anti-inflammatory properties have been explored in models of chronic inflammation, suggesting potential applications in autoimmune disorders.

The structural versatility of CAS No. 94108-46-0 allows for further functionalization, enabling researchers to design derivatives with enhanced pharmacokinetic profiles or improved bioavailability. Such modifications are critical in overcoming challenges associated with drug delivery and efficacy, particularly in complex biological systems.

Moreover, computational chemistry techniques have been employed to predict the compound's interactions with target proteins at the molecular level. These studies provide insights into its binding affinity and selectivity, guiding further optimization efforts in drug design.

In conclusion, 1-3-(dimethylamino)propyl-5-oxopyrrolidine-3-carboxylic acid, with its unique chemical structure and promising biological properties, continues to be a focal point in scientific research. As advancements in synthetic methodologies and biological assays unfold, this compound holds the potential to contribute significantly to the development of novel therapeutic agents addressing unmet medical needs.

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