TL;DR: (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride (CAS 1049744-68-4) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride, (R)-gamma-(3-phenyl-propyl)-L-proline-HCl, 1153AA, H-Pro{4-(3-Phenylpropyl)}-OH HCl, (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
| Molecular Formula | C14H20ClNO2 |
| Molecular Weight | 269.11826 g/mol |
| XLogP | 2.4938 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.11826 Da |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CCCC2=CC=CC=C2.Cl |
| InChIKey | QSJLJVFISOVESU-KZCZEQIWSA-N |
The XLogP value of 2.4938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride has 3 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 (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride is 1049744-68-4.
The molecular formula of (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride is C14H20ClNO2.
The molecular weight of (2S,4R)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic Acid Hydrochloride is 269.11826 g/mol.
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