2-(Ethoxycarbonylamino)butanedioic acid
TL;DR: 2-(Ethoxycarbonylamino)butanedioic acid (CAS 88405-87-2) is a chemical compound with molecular formula C7H11NO6 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethoxycarbonylamino)butanedioic acid
Also Known As: n-(ethoxycarbonyl)aspartic acid, 2-(ethoxycarbonylamino)butanedioic acid, carboethoxy-L-aspartic acid, Aspartic acid, N-ethyl ester, L-, N-[Ethoxy(hydroxy)methylidene]aspartic acid
| Molecular Formula | C7H11NO6 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.05864 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 88405-87-2 |
|---|---|
| SMILES | CCOC(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | FJENCEURQYNZHL-UHFFFAOYSA-N |
Product Overview
2-(Ethoxycarbonylamino)butanedioic acid (CAS 88405-87-2), with molecular formula C7H11NO6 and molecular weight 205.06 g/mol. IUPAC: 2-(ethoxycarbonylamino)butanedioic acid.
Chemical Property Profile of 2-(Ethoxycarbonylamino)butanedioic acid
Property Insights of 2-(Ethoxycarbonylamino)butanedioic acid
The XLogP value of -0.6 indicates that 2-(Ethoxycarbonylamino)butanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethoxycarbonylamino)butanedioic acid. Following Lipinski's Rule of Five, 2-(Ethoxycarbonylamino)butanedioic acid has 3 hydrogen bond donor(s) and 6 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-(Ethoxycarbonylamino)butanedioic acid?
The CAS number of 2-(Ethoxycarbonylamino)butanedioic acid is 88405-87-2.
What is the molecular formula of 2-(Ethoxycarbonylamino)butanedioic acid?
The molecular formula of 2-(Ethoxycarbonylamino)butanedioic acid is C7H11NO6.
What is the molecular weight of 2-(Ethoxycarbonylamino)butanedioic acid?
The molecular weight of 2-(Ethoxycarbonylamino)butanedioic acid is 205.06 g/mol.
Where can I buy 2-(Ethoxycarbonylamino)butanedioic acid?
You can request a quote for 2-(Ethoxycarbonylamino)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethoxycarbonylamino)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethoxycarbonylamino)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.