TL;DR: 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic acid (CAS 1212954-25-0) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
Also Known As: 3-(2H,3H-BENZO[3,4-E]1,4-DIOXAN-6-YL)(3R)-3-AMINOPROPANOIC ACID, (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid, 3-(2H,3H-BENZO[3,4-E]1,4-DIOXAN-6-YL)(3R)-3-AMINOPROPANOICACID, 3-amino-3-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)propanoic Acid, N14865
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.08446 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.08446 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)[C@@H](CC(=O)O)N |
| InChIKey | CAGUEQZBLIGCEU-MRVPVSSYSA-N |
The XLogP value of -1.6 indicates that 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic acid. Following Lipinski's Rule of Five, 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic 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 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic acid is 1212954-25-0.
The molecular formula of 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic acid is C11H13NO4.
The molecular weight of 3-(2H,3H-Benzo[3,4-E]1,4-dioxan-6-YL)(3R)-3-aminopropanoic acid is 223.08446 g/mol.
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