3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
TL;DR: 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid (CAS 1083087-25-5) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
Also Known As: N-(2-Methylacryloyl)-L-histidine, N-(2-Methylprop-2-enoyl)histidine, N-(2-Methyl-1-oxo-2-propen-1-yl)histidine, J1.039.683B, 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.09569 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.09569 Da |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
| SMILES | CC(=C)C(=O)NC(CC1=CN=CN1)C(=O)O |
| InChIKey | ADESRODTHOCWKB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
Property Insights of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid. Following Lipinski's Rule of Five, 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid?
The CAS number of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid is 1083087-25-5.
What is the molecular formula of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid?
The molecular formula of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid is C10H13N3O3.
What is the molecular weight of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid?
The molecular weight of 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid is 223.09569 g/mol.
Where can I buy 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid?
You can request a quote for 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.