TL;DR: (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride (CAS 1330750-18-9) is a chemical compound with molecular formula C10H14Cl2N2O2 and molecular weight 264.04324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid;dihydrochloride
Also Known As: (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride, (+/-)-TRANS-4-(3-PYRIDINYL)-PYRROLIDINE-3-CARBOXYLIC ACID-2HCL, (3S,4R)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid;dihydrochloride, H-trans-DL-b-pro-4-(3-pyridiny-OH) dihydrochloride, (+/-)-trans-4-(3-Pyridinyl)pyrrolidine-3-carboxylic acid dihydrochloride
| Molecular Formula | C10H14Cl2N2O2 |
| Molecular Weight | 264.04324 g/mol |
| XLogP | 1.3128 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.04324 Da |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CN=CC=C2.Cl.Cl |
| InChIKey | SEOJJVPPUGBZND-DBEJOZALSA-N |
The XLogP value of 1.3128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride. Following Lipinski's Rule of Five, (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride 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 (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride is 1330750-18-9.
The molecular formula of (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride is C10H14Cl2N2O2.
The molecular weight of (3S,4R)-4-(Pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride is 264.04324 g/mol.
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