TL;DR: (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid (CAS 1021428-21-6) is a chemical compound with molecular formula C10H18N2O4 and molecular weight 230.12666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Also Known As: (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid, cis-4-Amino-1-Boc-pyrrolidine-3-carboxylic acid, (3R,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, (3R,4R)-rel-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-amino-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
| Molecular Formula | C10H18N2O4 |
| Molecular Weight | 230.12666 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.12666 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)N)C(=O)O |
| InChIKey | OSQJCAMJAGJCSX-RQJHMYQMSA-N |
The XLogP value of -2.2 indicates that (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid is 1021428-21-6.
The molecular formula of (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid is C10H18N2O4.
The molecular weight of (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid is 230.12666 g/mol.
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