2-(3-甲基丁酰氨基)丁-2-烯酸
TL;DR: 2-(3-甲基丁酰氨基)丁-2-烯酸 (CAS 74589-24-5) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-甲基丁酰氨基)丁-2-烯酸
2-(3-methylbutanoylamino)but-2-enoic acid
Also Known As: 2-Ivba, 2-Isovaleramidobut-2-enoic acid, 2-(3-methylbutanoylamino)but-2-enoic acid, 2-Butenoic acid,2-[(3-methyl-1-oxobutyl)amino]-, (Z)- (9CI)
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 74589-24-5 |
|---|---|
| SMILES | CC=C(C(=O)O)NC(=O)CC(C)C |
| InChIKey | ZIQJERGSQODYKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-甲基丁酰氨基)丁-2-烯酸 (CAS 74589-24-5), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: 2-(3-methylbutanoylamino)but-2-enoic acid.
Chemical Property Profile of 2-(3-甲基丁酰氨基)丁-2-烯酸
Property Insights of 2-(3-甲基丁酰氨基)丁-2-烯酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-甲基丁酰氨基)丁-2-烯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-甲基丁酰氨基)丁-2-烯酸. Following Lipinski's Rule of Five, 2-(3-甲基丁酰氨基)丁-2-烯酸 has 2 hydrogen bond donor(s) and 3 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-(3-甲基丁酰氨基)丁-2-烯酸?
The CAS number of 2-(3-甲基丁酰氨基)丁-2-烯酸 is 74589-24-5.
What is the molecular formula of 2-(3-甲基丁酰氨基)丁-2-烯酸?
The molecular formula of 2-(3-甲基丁酰氨基)丁-2-烯酸 is C9H15NO3.
What is the molecular weight of 2-(3-甲基丁酰氨基)丁-2-烯酸?
The molecular weight of 2-(3-甲基丁酰氨基)丁-2-烯酸 is 185.11 g/mol.
Where can I buy 2-(3-甲基丁酰氨基)丁-2-烯酸?
You can request a quote for 2-(3-甲基丁酰氨基)丁-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-甲基丁酰氨基)丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-甲基丁酰氨基)丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.