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Identification
Molecular formula
C21H26N2O5S
CAS number
Not available
IUPAC name
2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid
State
State

It is typically encountered as a solid at room temperature.

Melting point (Celsius)
169.50
Melting point (Kelvin)
442.65
Boiling point (Celsius)
455.60
Boiling point (Kelvin)
728.75
General information
Molecular weight
405.52g/mol
Molar mass
405.4480g/mol
Density
1.2364g/cm3
Appearence

The appearance of this compound is typically described as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid

The solubility of 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid (C21H26N2O5S) can be quite fascinating due to its complex molecular structure. Understanding the solubility of this compound involves various factors:

  • Hydrophilicity vs. Hydrophobicity: The presence of polar functional groups, such as the carboxylic acid (-COOH) and carbonyl groups, suggests that the compound may exhibit some degree of hydrophilicity. In contrast, the phenyl and methyl groups contribute to its hydrophobic character.
  • Solvents: This compound is likely to be soluble in organic solvents such as ethanol, dimethyl sulfoxide (DMSO), and potentially acetone. However, its solubility in water might be limited due to the bulk of the hydrophobic portions.
  • pH Dependence: The solubility may also vary with pH levels; the carboxylic acid group can ionize at higher pH, potentially increasing its solubility in aqueous solutions.
  • Temperature Effects: As with many organic compounds, increasing the temperature may enhance solubility by promoting molecular movement.

In conclusion, while predicting solubility can be complex, especially for large organic molecules, the interplay of hydrophilic and hydrophobic regions along with environmental factors plays a crucial role. This compound highlights the importance of evaluating solubility in the context of specific solvents and conditions to fully grasp its potential applications.

Interesting facts

Interesting Facts about 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid

This compound is a fascinating example of amino acid derivatives that can have significant biological implications. Here are some notable points to consider:

  • Structural Complexity: The compound features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle. This structure influences the compound’s reactivity and potential biological activity.
  • Sulfanyl Group: The presence of the acetylsulfanyl group is particularly interesting as it may enhance the compound's ability to interact with biological targets such as enzymes or receptors.
  • Biological Relevance: Amino acid derivatives are often important in medicinal chemistry, as they can serve as precursors for synthesizing more complex pharmaceuticals. This compound may have implications in drug development due to its structural features.
  • Potential Applications: Compounds with similar structures have been studied for anti-inflammatory, analgesic, and anticancer properties. It will be intriguing to explore the pharmacological studies of this specific compound.
  • Research Opportunities: Given its unique composition, this compound presents an exciting opportunity for further research into its synthesis, mechanisms of action, and potential therapeutic applications.

As a scientist or a chemistry student, exploring this compound provides a glimpse into the intricate world of chemical compounds and their vast potential in addressing real-world challenges.

Synonyms
1-[3-(acetylsulfanyl)-2-methylpropanoyl]prolylphenylalanine
CHEMBL91800
DTXSID10860970
NSC338157
AKOS040759265
2-({1-[3-(acetylsulfanyl)-2-methylpropanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid