3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid
TL;DR: 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid (CAS 165451-52-5) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
Also Known As: 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid, N-Isobutyryltryptophan #, 3-(1H-indol-3-yl)-2-(isobutyrylamino)propanoic acid, 3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid, 3-(1H-indol-3-yl)-2-isobutyramidopropanoic acid
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 165451-52-5 |
|---|---|
| SMILES | CC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
| InChIKey | GETUXIPWHYHOME-UHFFFAOYSA-N |
Product Overview
3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid (CAS 165451-52-5), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid.
Chemical Property Profile of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid
Property Insights of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid?
The CAS number of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid is 165451-52-5.
What is the molecular formula of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid?
The molecular formula of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid is C15H18N2O3.
What is the molecular weight of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid?
The molecular weight of 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid is 274.13 g/mol.
Where can I buy 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid?
You can request a quote for 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.