Cas no 770703-11-2 (3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid)

3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid is a chiral pyrrolidine derivative featuring a hydroxy-substituted stereocenter and a benzoic acid moiety. Its distinct stereochemistry (2S,4R) ensures high enantiomeric purity, making it valuable for asymmetric synthesis and pharmaceutical applications. The compound's hydroxyl and carbonylamino functional groups enhance its reactivity, facilitating its use as a versatile intermediate in medicinal chemistry, particularly for protease inhibitor development. Its benzoic acid component further improves solubility and derivatization potential. The rigid pyrrolidine scaffold contributes to conformational stability, aiding in the design of biologically active molecules. This compound is suitable for research in drug discovery and fine chemical synthesis, offering precise structural control.
3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid structure
770703-11-2 structure
Product Name:3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid
CAS No:770703-11-2
MF:C12H14N2O4
MW:250.250563144684
CID:551355
PubChem ID:11077016
Update Time:2025-10-29

3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-
    • Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]- (9CI)
    • Ertabenem USP impurity D
    • 3-[[[(2S,4R)-4-Hydroxy-2-pyrrolidinyl]carbonyl]amino]benzoic Acid
    • 3-((2S,4R)-4-Hydroxypyrrolidine-2-carboxamido)benzoic acid
    • 3-{[(4R)-4-Hydroxy-L-prolyl]amino}benzoic acid
    • 770703-11-2
    • Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-
    • Benzoic acid,3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-(9ci)
    • Q5G62VEG5D
    • Ertapenem USP Impurity D
    • 3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid
    • Inchi： 1S/C12H14N2O4/c15-9-5-10(13-6-9)11(16)14-8-3-1-2-7(4-8)12(17)18/h1-4,9-10,13,15H,5-6H2,(H,14,16)(H,17,18)/t9-,10+/m1/s1
    • InChI Key： IQPYLVCJTJLSDO-ZJUUUORDSA-N
    • SMILES： O[C@H]1CN[C@H](C(NC2C=CC=C(C(=O)O)C=2)=O)C1

Computed Properties

  • Exact Mass: 250.09542
  • Monoisotopic Mass: 250.09535693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 334
  • 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: -2.5
  • Topological Polar Surface Area: 98.7?2

Experimental Properties

  • PSA: 98.66

3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid Pricemore >>

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3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid Related Literature

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Additional information on 3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid

3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid: A Comprehensive Overview

3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid, also identified by its CAS Registry Number 770703-11-2, is a complex organic compound with significant potential in the fields of pharmacology and organic chemistry. This compound has garnered attention due to its unique structural properties and promising applications in drug development.

The molecular structure of 3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid comprises a pyrrolidine ring fused with a hydroxyl group and a benzoic acid moiety. The stereochemistry at the 2S and 4R positions of the pyrrolidine ring is critical, as it influences the compound's bioactivity and selectivity. Recent studies have highlighted the importance of stereochemistry in determining the pharmacokinetic properties of such compounds, making them valuable candidates for drug design.

Research into this compound has focused on its potential as a lead molecule for developing therapeutic agents targeting various diseases. For instance, studies have shown that 3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid exhibits significant activity against certain enzymes involved in neurodegenerative diseases, such as Alzheimer's disease. The benzoic acid group is believed to play a crucial role in binding to these enzyme targets, while the pyrrolidine ring contributes to the compound's stability and bioavailability.

In addition to its enzymatic activity, this compound has also been investigated for its potential anti-inflammatory properties. Recent experiments have demonstrated that it can inhibit the production of pro-inflammatory cytokines in vitro, suggesting its potential application in treating inflammatory disorders. These findings underscore the versatility of CAS No. 770703-11-2 as a multi-functional compound with diverse therapeutic applications.

The synthesis of 3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid involves a multi-step process that requires precise control over stereochemistry to ensure optimal yields and purity. Researchers have developed efficient synthetic routes that incorporate asymmetric catalysis and stereoselective reactions, enabling the production of enantiomerically pure compounds. These advancements have significantly improved the scalability of the synthesis process, making it more feasible for large-scale production.

Moreover, computational studies have been conducted to predict the pharmacokinetic profile of this compound. Using advanced molecular modeling techniques, scientists have estimated its absorption, distribution, metabolism, and excretion (ADME) properties. These predictions are essential for guiding preclinical studies and optimizing the compound's bioavailability before entering clinical trials.

In conclusion, 3-(2S,4R)-4-Hydroxy-2-pyrrolidinylcarbonylaminobenzoic Acid, with its unique structure and promising biological activities, represents a significant advancement in organic chemistry and drug discovery. Its potential applications span across various therapeutic areas, making it a subject of continued research interest. As ongoing studies unravel more about its mechanisms of action and optimize its pharmacokinetic properties, this compound holds great promise for contributing to innovative treatments in medicine.

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