3-(Dimethylamino)prop-2-enoic acid
TL;DR: 3-(Dimethylamino)prop-2-enoic acid (CAS 55980-34-2) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)prop-2-enoic acid
Also Known As: 3-(dimethylamino)prop-2-enoic acid, 3-(Dimethylamino)Acrylic Acid, 2-Propenoicacid,3-(dimethylamino), 3-(dimethylamino)-2-Propenoicacid, 2-Propenoicacid, 3-(dimethylamino)-
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 55980-34-2 |
|---|---|
| SMILES | CN(C)C=CC(=O)O |
| InChIKey | NKNBYFBSHOGEKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)prop-2-enoic acid (CAS 55980-34-2), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3-(dimethylamino)prop-2-enoic acid.
Chemical Property Profile of 3-(Dimethylamino)prop-2-enoic acid
Property Insights of 3-(Dimethylamino)prop-2-enoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)prop-2-enoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(Dimethylamino)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)prop-2-enoic acid has 1 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 3-(Dimethylamino)prop-2-enoic acid?
The CAS number of 3-(Dimethylamino)prop-2-enoic acid is 55980-34-2.
What is the molecular formula of 3-(Dimethylamino)prop-2-enoic acid?
The molecular formula of 3-(Dimethylamino)prop-2-enoic acid is C5H9NO2.
What is the molecular weight of 3-(Dimethylamino)prop-2-enoic acid?
The molecular weight of 3-(Dimethylamino)prop-2-enoic acid is 115.06 g/mol.
Where can I buy 3-(Dimethylamino)prop-2-enoic acid?
You can request a quote for 3-(Dimethylamino)prop-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 3-(Dimethylamino)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.