3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
TL;DR: 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid (CAS 215654-55-0) is a chemical compound with molecular formula C11H18N2O5 and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxobut-2-enoic acid
Also Known As: 3-(2-TERT-BUTOXYCARBONYLAMINO-ETHYLCARBAMOYL)-ACRYLIC ACID, 3-({2-[(tert-butoxycarbonyl)amino]ethyl}carbamoyl)prop-2-enoic acid, 4-[2-(tert-butoxycarbonylamino)ethylamino]-4-oxo-but-2-enoic acid, (Z)-4-((2-((tert-Butoxycarbonyl)amino)ethyl)amino)-4-oxobut-2-enoic acid, 3-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)carbamoyl]prop-2-enoic acid
| Molecular Formula | C11H18N2O5 |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | 0.2681 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.12158 |
| Heavy Atoms | 18 |
| Complexity | 343.83295 |
Chemical Identifiers
| CAS Number | 215654-55-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCNC(=O)C=CC(=O)O |
Product Overview
3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid (CAS 215654-55-0), with molecular formula C11H18N2O5 and molecular weight 258.12 g/mol. IUPAC: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
Property Insights of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
The XLogP value of 0.2681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid. Following Lipinski's Rule of Five, 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic 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 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid?
The CAS number of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid is 215654-55-0.
What is the molecular formula of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid?
The molecular formula of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid is C11H18N2O5.
What is the molecular weight of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid?
The molecular weight of 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid is 258.12 g/mol.
Where can I buy 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid?
You can request a quote for 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Tert-butoxycarbonylamino-ethylcarbamoyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.