TL;DR: Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid (CAS 1330750-32-7) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-ylpyrrolidine-3-carboxylic acid
Also Known As: BOC-(+/-)-TRANS-4-(1-NAPHTHYL)-PYRROLIDINE-3-CARBOXYLIC ACID, Boc-(trans)-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid, (3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(NAPHTHALEN-1-YL)PYRROLIDINE-3-CARBOXYLIC ACID, (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-ylpyrrolidine-3-carboxylic acid, (3S,4R)-1-tert-butoxycarbonyl-4-(1-naphthyl)pyrrolidine-3-carboxylic acid
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.16272 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.16272 Da |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=CC3=CC=CC=C32 |
| InChIKey | XFLHWJLBGXTNJN-DLBZAZTESA-N |
The XLogP value of 3.4 indicates that Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid has 1 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 Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid is 1330750-32-7.
The molecular formula of Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid is C20H23NO4.
The molecular weight of Boc-(+/-)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid is 341.16272 g/mol.
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