TL;DR: 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid (CAS 1448876-90-1) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid
Also Known As: methacryloylproline, Captopril Impurity 50, 1-(2-Methylacryloyl)-L-proline, 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid, (R)-1-methacryloylpyrrolidine-2-carboxylic acid
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.08954 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.08954 Da |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
| SMILES | CC(=C)C(=O)N1CCCC1C(=O)O |
| InChIKey | SJAYUJDJZUWFDO-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid is 1448876-90-1.
The molecular formula of 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid is C9H13NO3.
The molecular weight of 1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic Acid is 183.08954 g/mol.
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