Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
TL;DR: Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 151872-21-8) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: BOC-TRP-OME, n-boc-tryptophan methyl ester, Boc-D-Trp-OMe, Boc-DL-Trp-OMe, N-Boc-DL-tryptophan methyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H22N2O4 |
| Molecular Weight | 318.15796 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.15796 Da |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC |
| InChIKey | QXLOVPXUZAOKBL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
Property Insights of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate has 2 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 Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The CAS number of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 151872-21-8.
What is the molecular formula of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is C17H22N2O4.
What is the molecular weight of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 318.15796 g/mol.
Where can I buy Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.