2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid

C9H10N2O4 — CID 22465274

IUPAC2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid
SMILESC=CCc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-2-3-6-4-11(5-7(12)13)9(15)10-8(6)14/h2,4H,1,3,5H2,(H,12,13)(H,10,14,15)
InChIKeyFTSVQDXXFHHIOW-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.65
Rot. Bonds4

About 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid

2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid (PubChem CID 22465274) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid
PubChem CID22465274
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid
SMILESC=CCc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-2-3-6-4-11(5-7(12)13)9(15)10-8(6)14/h2,4H,1,3,5H2,(H,12,13)(H,10,14,15)
InChIKeyFTSVQDXXFHHIOW-UHFFFAOYSA-N
XLogP-0.65
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid (CID 22465274) is 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid is C=CCc1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid?
The InChIKey is FTSVQDXXFHHIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-3-6-4-11(5-7(12)13)9(15)10-8(6)14/h2,4H,1,3,5H2,(H,12,13)(H,10,14,15).
What are the key properties of 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid?
2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid is sourced from PubChem (CID 22465274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).