2-(Prop-2-enamido)butanedioic acid
TL;DR: 2-(Prop-2-enamido)butanedioic acid (CAS 72064-86-9) is a chemical compound with molecular formula C7H9NO5 and molecular weight 187.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(prop-2-enoylamino)butanedioic acid
Also Known As: n-acryloylaspartic acid, 2-(PROP-2-ENAMIDO)BUTANEDIOIC ACID, N-(1-Oxoallyl)aspartic acid, N-Acryloyl-L-aspartic acid, N-(1-Oxo-2-propenyl)aspartic acid
| Molecular Formula | C7H9NO5 |
|---|---|
| Molecular Weight | 187.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.04807 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 72064-86-9 |
|---|---|
| SMILES | C=CC(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | UILJLCFPJOIGLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Prop-2-enamido)butanedioic acid (CAS 72064-86-9), with molecular formula C7H9NO5 and molecular weight 187.05 g/mol. IUPAC: 2-(prop-2-enoylamino)butanedioic acid.
Chemical Property Profile of 2-(Prop-2-enamido)butanedioic acid
Property Insights of 2-(Prop-2-enamido)butanedioic acid
The XLogP value of -0.7 indicates that 2-(Prop-2-enamido)butanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Prop-2-enamido)butanedioic acid. Following Lipinski's Rule of Five, 2-(Prop-2-enamido)butanedioic 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
Frequently Asked Questions
What is the CAS number of 2-(Prop-2-enamido)butanedioic acid?
The CAS number of 2-(Prop-2-enamido)butanedioic acid is 72064-86-9.
What is the molecular formula of 2-(Prop-2-enamido)butanedioic acid?
The molecular formula of 2-(Prop-2-enamido)butanedioic acid is C7H9NO5.
What is the molecular weight of 2-(Prop-2-enamido)butanedioic acid?
The molecular weight of 2-(Prop-2-enamido)butanedioic acid is 187.05 g/mol.
Where can I buy 2-(Prop-2-enamido)butanedioic acid?
You can request a quote for 2-(Prop-2-enamido)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Prop-2-enamido)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Prop-2-enamido)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.