2-(2,4-dioxopyrimidin-1-yl)hexanoic acid

C10H14N2O4 — CID 70400742

IUPAC2-(2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-3-4-7(9(14)15)12-6-5-8(13)11-10(12)16/h5-7H,2-4H2,1H3,(H,14,15)(H,11,13,16)
InChIKeyUWJFVIOTUNGNQM-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid

2-(2,4-dioxopyrimidin-1-yl)hexanoic acid (PubChem CID 70400742) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)hexanoic acid
PubChem CID70400742
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-3-4-7(9(14)15)12-6-5-8(13)11-10(12)16/h5-7H,2-4H2,1H3,(H,14,15)(H,11,13,16)
InChIKeyUWJFVIOTUNGNQM-UHFFFAOYSA-N
XLogP0.35
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid (CID 70400742) is 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid is CCCCC(C(=O)O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The InChIKey is UWJFVIOTUNGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-3-4-7(9(14)15)12-6-5-8(13)11-10(12)16/h5-7H,2-4H2,1H3,(H,14,15)(H,11,13,16).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
2-(2,4-dioxopyrimidin-1-yl)hexanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 70400742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).