TL;DR: (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid (CAS 1366384-05-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
Also Known As: FA-PRO-OH, 3-(2-Furyl)acryloyl-L-proline, BAS 04845910, (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid, (S,E)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
| SMILES | C1C[C@H](N(C1)C(=O)/C=C/C2=CC=CO2)C(=O)O |
| InChIKey | JQPXLPVJRYDONF-PORFMDCZSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid is 1366384-05-5.
The molecular formula of (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid is C12H13NO4.
The molecular weight of (S)-1-(3-(Furan-2-yl)acryloyl)pyrrolidine-2-carboxylic acid is 235.08446 g/mol.
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