2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid
TL;DR: 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid (CAS 4993-96-8) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropanoylamino)-3-(1H-indol-3-yl)propanoic acid
Also Known As: Pivaloyltryptophan, 3-(1H-Indol-3-yl)-2-pivalamidopropanoic acid, N-(2,2-dimethylpropanoyl)tryptophan, BAS 00246175, 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 2.3259 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 667.4571 |
Chemical Identifiers
| CAS Number | 4993-96-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
Product Overview
2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid (CAS 4993-96-8), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: 2-(2,2-dimethylpropanoylamino)-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid
Property Insights of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid
The XLogP value of 2.3259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid. Following Lipinski's Rule of Five, 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid has 3 hydrogen bond donor(s) and 2 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 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid?
The CAS number of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid is 4993-96-8.
What is the molecular formula of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid?
The molecular formula of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid is C16H20N2O3.
What is the molecular weight of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid?
The molecular weight of 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid is 288.15 g/mol.
Where can I buy 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid?
You can request a quote for 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.