![structure of (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/43/99735-43-0.svg)
(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CAS No.:
99735-43-0
M. Wt:
233.26300
M. Fa:
C13H15NO3
InChI Key:
CFGKWSDAMXTRHE-MWLCHTKSSA-N
Appearance:
White Solid
Names and Identifiers of 99735-43-0
CAS Number |
99735-43-0 |
|---|---|
EC Number |
829-993-6 |
MDL Number |
MFCD03093924 |
IUPAC Name |
(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid |
InChI |
InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11-/m1/s1 |
InChIKey |
CFGKWSDAMXTRHE-MWLCHTKSSA-N |
Canonical SMILES |
CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)O |
Isomeric SMILES |
C[C@H](C1=CC=CC=C1)N2C[C@@H](CC2=O)C(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 99735-43-0
Acidity coefficient |
4.48±0.20(Predicted) |
|---|---|
Boiling Point |
460.1ºC at 760 mmHg |
Density |
1.267g/cm3 |
Exact Mass |
233.10500 |
Flash Point |
232.1ºC |
LogP |
1.61860 |
Melting Point |
210-213ºC(lit.) |
Molecular Formula |
C13H15NO3 |
Molecular Weight |
233.26300 |
optical activity |
[α]20/D +103°, c = 1 in NaOH |
PSA |
57.61000 |
Storage condition |
Sealed in dry,Room Temperature |
Safety Information of 99735-43-0
Interaction Studies of 99735-43-0
Interaction studies are crucial for understanding how (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid interacts with biological targets:
- Binding Affinity: Investigations into its binding affinity to various receptors and enzymes can elucidate its mechanism of action.
- In Vitro Assays: High-throughput screening methods are often employed to assess its biological activity against specific targets.
Several compounds share structural similarities with (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid. Here are some notable comparisons:
| Compound Name | Structure Characteristics | Unique Features |
|---|---|---|
| (2S,3S)-3-amino-2-methylpentanoic acid | Contains an amino group | Known for neuroprotective effects |
| (S)-N-(2-hydroxyethyl)valine | Hydroxyethyl substitution | Exhibits anti-inflammatory properties |
| (S)-4-amino-2-methylbutanoic acid | Similar backbone but different side chains | Used in metabolic disorders treatment |
Biological Activity of 99735-43-0
The biological activity of (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid has been investigated for its potential therapeutic effects:
- Antidiabetic Properties: Similar compounds have shown the ability to inhibit enzymes like α-amylase and α-glucosidase, which are involved in carbohydrate metabolism.
- Neuroprotective Effects: Some studies suggest that derivatives of pyrrolidine compounds may exhibit neuroprotective properties, potentially aiding in the treatment of neurodegenerative diseases.
Physical sample testing spectrum (NMR) of 99735-43-0
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