TL;DR: 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid (CAS 150572-30-8) is a chemical compound with molecular formula C9H17BN2O3 and molecular weight 212.13322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]boronic acid
Also Known As: Pro-boropro, Watanidipine.2HCl, 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid, (1-Prolylpyrrolidin-2-yl)boronic acid, [1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]boronic acid
| Molecular Formula | C9H17BN2O3 |
| Molecular Weight | 212.13322 g/mol |
| XLogP | -1.2586 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.13322 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | B(C1CCCN1C(=O)C2CCCN2)(O)O |
| InChIKey | XSBZZZGVAIXJLD-UHFFFAOYSA-N |
The XLogP value of -1.2586 indicates that 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid. Following Lipinski's Rule of Five, 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid has 3 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-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid is 150572-30-8.
The molecular formula of 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid is C9H17BN2O3.
The molecular weight of 1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid is 212.13322 g/mol.
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