5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C20H21NO7 — CID 165489418

About 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 165489418) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
• PubChem CID: 165489418
• Molecular Formula: C20H21NO7
• Molecular Weight: 387.39 g/mol
• Exact Mass: 387.13
• IUPAC Name: 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
• SMILES: COC(=O)c1ccc(-c2cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c2)cc1
• InChI: InChI=1S/C20H21NO7/c1-20(2,3)28-16(22)11-21-10-14(9-15(17(21)23)18(24)25)12-5-7-13(8-6-12)19(26)27-4/h5-10H,11H2,1-4H3,(H,24,25)
• InChIKey: ITUQQOLEPIBYAN-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 111.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.39
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

The IUPAC name of 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 165489418) is 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

What is the SMILES notation for 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

The canonical SMILES for 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is COC(=O)c1ccc(-c2cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c2)cc1.

What is the InChIKey of 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

The InChIKey is ITUQQOLEPIBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-20(2,3)28-16(22)11-21-10-14(9-15(17(21)23)18(24)25)12-5-7-13(8-6-12)19(26)27-4/h5-10H,11H2,1-4H3,(H,24,25).

What are the key properties of 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165489418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).