4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid

C8H10N2O4 — CID 118606690

IUPAC4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H10N2O4/c11-6-3-4-9-8(14)10(6)5-1-2-7(12)13/h3-4H,1-2,5H2,(H,9,14)(H,12,13)
InChIKeyFCKKRNGCFNPQPY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.60
Rot. Bonds4

About 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid

4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid (PubChem CID 118606690) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
PubChem CID118606690
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H10N2O4/c11-6-3-4-9-8(14)10(6)5-1-2-7(12)13/h3-4H,1-2,5H2,(H,9,14)(H,12,13)
InChIKeyFCKKRNGCFNPQPY-UHFFFAOYSA-N
XLogP-0.60
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
The IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid (CID 118606690) is 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
The canonical SMILES for 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid is O=C(O)CCCn1c(=O)cc[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
The InChIKey is FCKKRNGCFNPQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6-3-4-9-8(14)10(6)5-1-2-7(12)13/h3-4H,1-2,5H2,(H,9,14)(H,12,13).
What are the key properties of 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid is sourced from PubChem (CID 118606690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).