4-(Carbamoylamino)-4-oxobut-2-enoic acid
TL;DR: 4-(Carbamoylamino)-4-oxobut-2-enoic acid (CAS 105-61-3) is a chemical compound with molecular formula C5H6N2O4 and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carbamoylamino)-4-oxobut-2-enoic acid
Also Known As: Maleuric acid, N-Carbamoylmaleamic acid, Maleic acid monoureide, Cis-MALEURIC ACID, AI332778;Maleylurea
| Molecular Formula | C5H6N2O4 |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.03276 |
| Heavy Atoms | 11 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 105-61-3 |
|---|---|
| SMILES | C(=CC(=O)O)C(=O)NC(=O)N |
| InChIKey | GWGLGTKSTGSWGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Carbamoylamino)-4-oxobut-2-enoic acid (CAS 105-61-3), with molecular formula C5H6N2O4 and molecular weight 158.03 g/mol. IUPAC: 4-(carbamoylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(Carbamoylamino)-4-oxobut-2-enoic acid
Property Insights of 4-(Carbamoylamino)-4-oxobut-2-enoic acid
The XLogP value of -0.9 indicates that 4-(Carbamoylamino)-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carbamoylamino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(Carbamoylamino)-4-oxobut-2-enoic 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 4-(Carbamoylamino)-4-oxobut-2-enoic acid?
The CAS number of 4-(Carbamoylamino)-4-oxobut-2-enoic acid is 105-61-3.
What is the molecular formula of 4-(Carbamoylamino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(Carbamoylamino)-4-oxobut-2-enoic acid is C5H6N2O4.
What is the molecular weight of 4-(Carbamoylamino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(Carbamoylamino)-4-oxobut-2-enoic acid is 158.03 g/mol.
Where can I buy 4-(Carbamoylamino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(Carbamoylamino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Carbamoylamino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carbamoylamino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.