2-Azaniumyl-5-(ethylamino)-5-oxopentanoate
TL;DR: 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate (CAS 5822-62-8) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(ethylamino)-5-oxopentanoic acid
Also Known As: DL-Theanine, L-Theanine, Theanine, n-ethylglutamine, Theanin
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 5822-62-8 |
|---|---|
| SMILES | CCNC(=O)CCC(C(=O)O)N |
| InChIKey | DATAGRPVKZEWHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Azaniumyl-5-(ethylamino)-5-oxopentanoate (CAS 5822-62-8), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: 2-amino-5-(ethylamino)-5-oxopentanoic acid.
Chemical Property Profile of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate
Property Insights of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate
The XLogP value of -3.6 indicates that 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate 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-Azaniumyl-5-(ethylamino)-5-oxopentanoate. Following Lipinski's Rule of Five, 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate 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-Azaniumyl-5-(ethylamino)-5-oxopentanoate?
The CAS number of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate is 5822-62-8.
What is the molecular formula of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate?
The molecular formula of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate is C7H14N2O3.
What is the molecular weight of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate?
The molecular weight of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate is 174.10 g/mol.
Where can I buy 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate?
You can request a quote for 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.