(S)-methyl 2-(3-allylureido)-4-methylpentanoate
TL;DR: (S)-methyl 2-(3-allylureido)-4-methylpentanoate (CAS 1173674-87-7) is a chemical compound with molecular formula C11H20N2O3 and molecular weight 228.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methyl-2-(prop-2-enylcarbamoylamino)pentanoate
Also Known As: methyl N-(prop-2-en-1-ylcarbamoyl)-L-leucinate, (S)-methyl 2-(3-allylureido)-4-methylpentanoate, methyl (2S)-4-methyl-2-(prop-2-enylcarbamoylamino)pentanoate
Technical Specifications
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.1474 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.1474 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NCC=C |
| InChIKey | BWEXWTQLDVDIDV-VIFPVBQESA-N |
Chemical Property Profile of (S)-methyl 2-(3-allylureido)-4-methylpentanoate
Property Insights of (S)-methyl 2-(3-allylureido)-4-methylpentanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-allylureido)-4-methylpentanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-allylureido)-4-methylpentanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-allylureido)-4-methylpentanoate 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 (S)-methyl 2-(3-allylureido)-4-methylpentanoate?
The CAS number of (S)-methyl 2-(3-allylureido)-4-methylpentanoate is 1173674-87-7.
What is the molecular formula of (S)-methyl 2-(3-allylureido)-4-methylpentanoate?
The molecular formula of (S)-methyl 2-(3-allylureido)-4-methylpentanoate is C11H20N2O3.
What is the molecular weight of (S)-methyl 2-(3-allylureido)-4-methylpentanoate?
The molecular weight of (S)-methyl 2-(3-allylureido)-4-methylpentanoate is 228.1474 g/mol.
Where can I buy (S)-methyl 2-(3-allylureido)-4-methylpentanoate?
You can request a quote for (S)-methyl 2-(3-allylureido)-4-methylpentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(3-allylureido)-4-methylpentanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(3-allylureido)-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.