TL;DR: N-(4-methoxybenzyl)alanine (CAS 166319-15-9) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyphenyl)methylamino]propanoic acid
Also Known As: N-(4-methoxybenzyl)alanine, 2-(4-Methoxy-benzylamino)-propionic acid, NCI60_041913, 2-[(4-methoxyphenyl)methylamino]propanoic acid, 2-{[(4-methoxyphenyl)methyl]amino}propanoic acid
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.1052 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.1052 Da |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
| SMILES | CC(C(=O)O)NCC1=CC=C(C=C1)OC |
| InChIKey | DVWKAPURRINTQG-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that N-(4-methoxybenzyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, N-(4-methoxybenzyl)alanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methoxybenzyl)alanine has 2 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 N-(4-methoxybenzyl)alanine is 166319-15-9.
The molecular formula of N-(4-methoxybenzyl)alanine is C11H15NO3.
The molecular weight of N-(4-methoxybenzyl)alanine is 209.1052 g/mol.
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