methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate
TL;DR: methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate (CAS 69595-27-3) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate
Also Known As: methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate, Methyl (3-carbamoyl-1H-pyrrol-2-yl)acetate, 1H-Pyrrole-2-aceticacid, 3-(aminocarbonyl)-, methyl ester
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 69595-27-3 |
|---|---|
| SMILES | COC(=O)CC1=C(C=CN1)C(=O)N |
| InChIKey | KJBWFRUUNYWGKI-UHFFFAOYSA-N |
Product Overview
methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate (CAS 69595-27-3), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate.
Chemical Property Profile of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate
Property Insights of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate
The XLogP value of -0.6 indicates that methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate 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 methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate?
The CAS number of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate is 69595-27-3.
What is the molecular formula of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate?
The molecular formula of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate is C8H10N2O3.
What is the molecular weight of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate?
The molecular weight of methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate is 182.07 g/mol.
Where can I buy methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate?
You can request a quote for methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-carbamoyl-1H-pyrrol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.