TL;DR: (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide (CAS 123952-20-5) is a chemical compound with molecular formula C13H19N3O4 and molecular weight 281.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide
Also Known As: H-Tyr-Thr-NH2, (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanamide
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.13754 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.13754 Da |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
| SMILES | C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)O |
| InChIKey | ABRCUVDYWRAGGE-GGVZMXCHSA-N |
The XLogP value of -2.1 indicates that (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide. Following Lipinski's Rule of Five, (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide has 5 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 (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide is 123952-20-5.
The molecular formula of (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide is C13H19N3O4.
The molecular weight of (2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanamide is 281.13754 g/mol.
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