3-Butenoic acid, 2-amino-3-(aminocarbonyl)-
TL;DR: 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- (CAS 94859-90-2) is a chemical compound with molecular formula C5H8N2O3 and molecular weight 144.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-carbamoylbut-3-enoic acid
Also Known As: Methylene asparagine, 3-Methylideneasparagine, Asparagine, (+-)-, beta-methylene-D,L-asparagine, 2-amino-3-carbamoylbut-3-enoic acid
| Molecular Formula | C5H8N2O3 |
|---|---|
| Molecular Weight | 144.05 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.0535 |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 94859-90-2 |
|---|---|
| SMILES | C=C(C(C(=O)O)N)C(=O)N |
| InChIKey | GFQKEKUFTSJNBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butenoic acid, 2-amino-3-(aminocarbonyl)- (CAS 94859-90-2), with molecular formula C5H8N2O3 and molecular weight 144.05 g/mol. IUPAC: 2-amino-3-carbamoylbut-3-enoic acid.
Chemical Property Profile of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-
Property Insights of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-
The XLogP value of -3.9 indicates that 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-. Following Lipinski's Rule of Five, 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- 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 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-?
The CAS number of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- is 94859-90-2.
What is the molecular formula of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-?
The molecular formula of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- is C5H8N2O3.
What is the molecular weight of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-?
The molecular weight of 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- is 144.05 g/mol.
Where can I buy 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-?
You can request a quote for 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 2-amino-3-(aminocarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 2-amino-3-(aminocarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.