4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid

C15H20N2O7 — CID 167668198

About 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid

4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid (PubChem CID 167668198) has the molecular formula C15H20N2O7 and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
• PubChem CID: 167668198
• Molecular Formula: C15H20N2O7
• Molecular Weight: 340.33 g/mol
• Exact Mass: 340.13
• IUPAC Name: 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
• SMILES: CCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)CCC(=O)O
• InChI: InChI=1S/C15H20N2O7/c1-3-9-10(24-13(20)5-4-12(18)19)6-11(23-9)17-7-8(2)14(21)16-15(17)22/h7,9-11H,3-6H2,1-2H3,(H,18,19)(H,16,21,22)
• InChIKey: SPXDCNHJBWJIQP-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 127.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.33
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid?

The IUPAC name of 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid (CID 167668198) is 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid.

What is the SMILES notation for 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid?

The canonical SMILES for 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid is CCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)CCC(=O)O.

What is the InChIKey of 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid?

The InChIKey is SPXDCNHJBWJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O7/c1-3-9-10(24-13(20)5-4-12(18)19)6-11(23-9)17-7-8(2)14(21)16-15(17)22/h7,9-11H,3-6H2,1-2H3,(H,18,19)(H,16,21,22).

What are the key properties of 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid?

4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid has a molecular weight of 340.33 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid is sourced from PubChem (CID 167668198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).