TL;DR: 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid (CAS 1026725-31-4) is a chemical compound with molecular formula C12H14FNO2 and molecular weight 223.10086 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (4-Fluorobenzyl)proline, starbld0010001, 1-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid, 1-(4-Fluoro-benzyl)-pyrrolidine-2-carboxylic acid 1HCl salt
| Molecular Formula | C12H14FNO2 |
| Molecular Weight | 223.10086 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.10086 Da |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
| SMILES | C1CC(N(C1)CC2=CC=C(C=C2)F)C(=O)O |
| InChIKey | HUJIRQKJJFAXHV-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-fluorophenyl)methyl]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 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid is 1026725-31-4.
The molecular formula of 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid is C12H14FNO2.
The molecular weight of 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid is 223.10086 g/mol.
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