(2S,3R)-2-acetamido-3-methylpentanoic acid
TL;DR: (2S,3R)-2-acetamido-3-methylpentanoic acid (CAS 20257-17-4) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-acetamido-3-methylpentanoic acid
Also Known As: N-Acetyl-DL-alloisoleucine, N-Acetyl-L-alloisoleucine, (2S,3R)-2-acetamido-3-methylpentanoic acid, 2-acetamido-3-methylpentanoic acid, (2S,3R)-2-(Acetylamino)-3-methylpentanoic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.1052 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.1052 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NC(=O)C |
| InChIKey | JDTWZSUNGHMMJM-VDTYLAMSSA-N |
Chemical Property Profile of (2S,3R)-2-acetamido-3-methylpentanoic acid
Property Insights of (2S,3R)-2-acetamido-3-methylpentanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-2-acetamido-3-methylpentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-2-acetamido-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3R)-2-acetamido-3-methylpentanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S,3R)-2-acetamido-3-methylpentanoic acid?
The CAS number of (2S,3R)-2-acetamido-3-methylpentanoic acid is 20257-17-4.
What is the molecular formula of (2S,3R)-2-acetamido-3-methylpentanoic acid?
The molecular formula of (2S,3R)-2-acetamido-3-methylpentanoic acid is C8H15NO3.
What is the molecular weight of (2S,3R)-2-acetamido-3-methylpentanoic acid?
The molecular weight of (2S,3R)-2-acetamido-3-methylpentanoic acid is 173.1052 g/mol.
Where can I buy (2S,3R)-2-acetamido-3-methylpentanoic acid?
You can request a quote for (2S,3R)-2-acetamido-3-methylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3R)-2-acetamido-3-methylpentanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S,3R)-2-acetamido-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.