2-(3-Aminopropanoylamino)-3-methylpentanoic acid
TL;DR: 2-(3-Aminopropanoylamino)-3-methylpentanoic acid (CAS 104465-34-1) is a chemical compound with molecular formula C9H18N2O3 and molecular weight 202.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminopropanoylamino)-3-methylpentanoic acid
Also Known As: beta-ALA-ILE, beta-alanyl-l-isoleucine, b-Alanyl-L-alloisoleucine, 2-(3-aminopropanoylamino)-3-methylpentanoic acid
| Molecular Formula | C9H18N2O3 |
|---|---|
| Molecular Weight | 202.13 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.13174 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 104465-34-1 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC(=O)CCN |
| InChIKey | GGUBVMQYYFJPFQ-UHFFFAOYSA-N |
Product Overview
2-(3-Aminopropanoylamino)-3-methylpentanoic acid (CAS 104465-34-1), with molecular formula C9H18N2O3 and molecular weight 202.13 g/mol. IUPAC: 2-(3-aminopropanoylamino)-3-methylpentanoic acid.
Chemical Property Profile of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid
Property Insights of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid
The XLogP value of -3.1 indicates that 2-(3-Aminopropanoylamino)-3-methylpentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Aminopropanoylamino)-3-methylpentanoic acid. Following Lipinski's Rule of Five, 2-(3-Aminopropanoylamino)-3-methylpentanoic 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
Frequently Asked Questions
What is the CAS number of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid?
The CAS number of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid is 104465-34-1.
What is the molecular formula of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid?
The molecular formula of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid is C9H18N2O3.
What is the molecular weight of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid?
The molecular weight of 2-(3-Aminopropanoylamino)-3-methylpentanoic acid is 202.13 g/mol.
Where can I buy 2-(3-Aminopropanoylamino)-3-methylpentanoic acid?
You can request a quote for 2-(3-Aminopropanoylamino)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Aminopropanoylamino)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Aminopropanoylamino)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.