TL;DR: 4-Carboxyphenylalanine (CAS 126109-42-0) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-amino-2-carboxyethyl)benzoic acid
Also Known As: 4-(2-Amino-2-carboxyethyl)benzoic acid, 4-carboxyphenylalanine, 4-Carboxy-L-phenylalanine, H-p-Carboxy-Phe-OH, 4-carboxy-DL-phenylalanine
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
| SMILES | C1=CC(=CC=C1CC(C(=O)O)N)C(=O)O |
| InChIKey | YXDGRBPZVQPESQ-UHFFFAOYSA-N |
The XLogP value of -1.6 indicates that 4-Carboxyphenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxyphenylalanine. Following Lipinski's Rule of Five, 4-Carboxyphenylalanine has 3 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 4-Carboxyphenylalanine is 126109-42-0.
The molecular formula of 4-Carboxyphenylalanine is C10H11NO4.
The molecular weight of 4-Carboxyphenylalanine is 209.0688 g/mol.
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