TL;DR: (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride (CAS 1330750-51-0) is a chemical compound with molecular formula C12H16ClNO3 and molecular weight 257.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride, (})-trans-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid.HCl, (+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid-HCl, H-trans-DL-b-Pro-4-(2-methoxyphenyl)-OH? centHCl, (3S,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.08188 g/mol |
| XLogP | 1.5046 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.08188 Da |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
| SMILES | COC1=CC=CC=C1[C@@H]2CNC[C@H]2C(=O)O.Cl |
| InChIKey | OAUHQXKTEUYPFQ-BAUSSPIASA-N |
The XLogP value of 1.5046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride. With a topological polar surface area (TPSA) of 58.6 Ų, (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride 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 (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride is 1330750-51-0.
The molecular formula of (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride is C12H16ClNO3.
The molecular weight of (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride is 257.08188 g/mol.
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