2-Iminobutanedioic acid
TL;DR: 2-Iminobutanedioic acid (CAS 79067-61-1) is a chemical compound with molecular formula C4H5NO4 and molecular weight 131.02185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-iminobutanedioic acid
Also Known As: Iminoaspartic acid, iminoaspartate, iminosuccinate, 2-iminobutanedioic acid, iminosuccinic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5NO4 |
| Molecular Weight | 131.02185 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 98.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.02185 Da |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
| SMILES | C(C(=N)C(=O)O)C(=O)O |
| InChIKey | NMUOATVLLQEYHI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Iminobutanedioic acid
Property Insights of 2-Iminobutanedioic acid
The XLogP value of -0.5 indicates that 2-Iminobutanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Iminobutanedioic acid. Following Lipinski's Rule of Five, 2-Iminobutanedioic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Iminobutanedioic acid?
The CAS number of 2-Iminobutanedioic acid is 79067-61-1.
What is the molecular formula of 2-Iminobutanedioic acid?
The molecular formula of 2-Iminobutanedioic acid is C4H5NO4.
What is the molecular weight of 2-Iminobutanedioic acid?
The molecular weight of 2-Iminobutanedioic acid is 131.02185 g/mol.
Where can I buy 2-Iminobutanedioic acid?
You can request a quote for 2-Iminobutanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Iminobutanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Iminobutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.