TL;DR: (2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049740-26-2) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride, H-Pro{4-(1-NaphMe)}-OH HCl, 1132AA, (R)-gamma-(1-naphthalenylmethyl)-L-proline-HCl, PL010-1
| Molecular Formula | C16H18ClNO2 |
| Molecular Weight | 291.1026 g/mol |
| XLogP | 2.8668 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.1026 Da |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC=CC3=CC=CC=C32.Cl |
| InChIKey | YOXIJMDLCCIUPS-BTAXJDQBSA-N |
The XLogP value of 2.8668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(naphthalen-1-ylmethyl)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-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride is 1049740-26-2.
The molecular formula of (2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride is C16H18ClNO2.
The molecular weight of (2S,4R)-4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride is 291.1026 g/mol.
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