TL;DR: (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid (CAS 1336659-81-4) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
Also Known As: (S)-3-AMINO-3-(2-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACID, 3-amino-3-(2-hydroxy-3-methoxy-phenyl)propanoic Acid, (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid, (S)-3-AMINO-3-(2-HYDROXY-3-METHOXYPHENYL)PROPANOICACID, N14800
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.08446 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.08446 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | COC1=CC=CC(=C1O)[C@H](CC(=O)O)N |
| InChIKey | PXLUHZRAMGUZRP-ZETCQYMHSA-N |
The XLogP value of -1.2 indicates that (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid. Following Lipinski's Rule of Five, (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid 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 (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid is 1336659-81-4.
The molecular formula of (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid is C10H13NO4.
The molecular weight of (S)-3-Amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid is 211.08446 g/mol.
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