n-(Ethoxycarbonyl)-2-methylalanine
TL;DR: n-(Ethoxycarbonyl)-2-methylalanine (CAS 92495-49-3) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethoxycarbonylamino)-2-methylpropanoic acid
Also Known As: n-(ethoxycarbonyl)-2-methylalanine, 2- -2-methyl-propanoicacid, Alanine,N-(ethoxycarbonyl)-2-methyl-, 2-(ethoxycarbonylamino)-2-methylpropanoic acid, Alanine, N-(ethoxycarbonyl)-2-methyl-
| Molecular Formula | C7H13NO4 |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.08446 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 92495-49-3 |
|---|---|
| SMILES | CCOC(=O)NC(C)(C)C(=O)O |
| InChIKey | DVUNOMVPJHWGND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-(Ethoxycarbonyl)-2-methylalanine (CAS 92495-49-3), with molecular formula C7H13NO4 and molecular weight 175.08 g/mol. IUPAC: 2-(ethoxycarbonylamino)-2-methylpropanoic acid.
Chemical Property Profile of n-(Ethoxycarbonyl)-2-methylalanine
Property Insights of n-(Ethoxycarbonyl)-2-methylalanine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(Ethoxycarbonyl)-2-methylalanine. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(Ethoxycarbonyl)-2-methylalanine. Following Lipinski's Rule of Five, n-(Ethoxycarbonyl)-2-methylalanine 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
Frequently Asked Questions
What is the CAS number of n-(Ethoxycarbonyl)-2-methylalanine?
The CAS number of n-(Ethoxycarbonyl)-2-methylalanine is 92495-49-3.
What is the molecular formula of n-(Ethoxycarbonyl)-2-methylalanine?
The molecular formula of n-(Ethoxycarbonyl)-2-methylalanine is C7H13NO4.
What is the molecular weight of n-(Ethoxycarbonyl)-2-methylalanine?
The molecular weight of n-(Ethoxycarbonyl)-2-methylalanine is 175.08 g/mol.
Where can I buy n-(Ethoxycarbonyl)-2-methylalanine?
You can request a quote for n-(Ethoxycarbonyl)-2-methylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(Ethoxycarbonyl)-2-methylalanine?
Yes, KEHONG BIO provides custom synthesis services for n-(Ethoxycarbonyl)-2-methylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.