TL;DR: rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride (CAS 1392211-71-0) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (+/-)-trans-4-(4-Hydroxy-phenyl)-pyrrolidine-3-carboxylic acid-HCl, (TRANS)-4-(4-HYDROXY-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID-HCL, Rac-(3r,4s)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride, (+/-)-trans-4-(4-Hydroxyphenyl)pyrrolidine-3-carboxylic acid HCl, (+/-)-trans-4-(4-Hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.06622 g/mol |
| XLogP | 1.2016 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.06622 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=C(C=C2)O.Cl |
| InChIKey | FEGJNIKGVWOYLO-BAUSSPIASA-N |
The XLogP value of 1.2016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride. Following Lipinski's Rule of Five, rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride has 4 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 rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride is 1392211-71-0.
The molecular formula of rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride is C11H14ClNO3.
The molecular weight of rac-(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride is 243.06622 g/mol.
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