2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate
TL;DR: 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate (CAS 131222-85-0) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-1-oxopropan-2-yl) pyridine-3-carboxylate
Also Known As: Nicotinic acid 1-carbamoylethyl ester, 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate, 1-CARBAMOYLETHYL PYRIDINE-3-CARBOXYLATE, 2-[(Pyridine-3-carbonyl)oxy]propanimidic acid, (1-amino-1-oxopropan-2-yl) pyridine-3-carboxylate
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 131222-85-0 |
|---|---|
| SMILES | CC(C(=O)N)OC(=O)C1=CN=CC=C1 |
| InChIKey | GAWYGZGZUXSELI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate (CAS 131222-85-0), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: (1-amino-1-oxopropan-2-yl) pyridine-3-carboxylate.
Chemical Property Profile of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate
Property Insights of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate. Following Lipinski's Rule of Five, 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate has 1 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 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate?
The CAS number of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate is 131222-85-0.
What is the molecular formula of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate?
The molecular formula of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate is C9H10N2O3.
What is the molecular weight of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate?
The molecular weight of 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate is 194.07 g/mol.
Where can I buy 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate?
You can request a quote for 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-methyl-2-oxoethyl 3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.