methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate

C13H17NO5 — CID 70326272

IUPACmethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C13H17NO5/c1-13(2,3)19-10(15)8-14-7-5-6-9(11(14)16)12(17)18-4/h5-7H,8H2,1-4H3
InChIKeyHFFUIGVNIHNEIG-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.98
Rot. Bonds3

About methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate

methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate (PubChem CID 70326272) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
PubChem CID70326272
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C13H17NO5/c1-13(2,3)19-10(15)8-14-7-5-6-9(11(14)16)12(17)18-4/h5-7H,8H2,1-4H3
InChIKeyHFFUIGVNIHNEIG-UHFFFAOYSA-N
XLogP0.98
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate (CID 70326272) is methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The InChIKey is HFFUIGVNIHNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-13(2,3)19-10(15)8-14-7-5-6-9(11(14)16)12(17)18-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 70326272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).