2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid

C8H10N2O4 — CID 14216899

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESCc1cn(C(C)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-3-10(5(2)7(12)13)8(14)9-6(4)11/h3,5H,1-2H3,(H,12,13)(H,9,11,14)
InChIKeyMAVGBBMDJUMCEB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.51
Rot. Bonds2

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid

2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 14216899) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid
PubChem CID14216899
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESCc1cn(C(C)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-3-10(5(2)7(12)13)8(14)9-6(4)11/h3,5H,1-2H3,(H,12,13)(H,9,11,14)
InChIKeyMAVGBBMDJUMCEB-UHFFFAOYSA-N
XLogP-0.51
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid (CID 14216899) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid is Cc1cn(C(C)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is MAVGBBMDJUMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-3-10(5(2)7(12)13)8(14)9-6(4)11/h3,5H,1-2H3,(H,12,13)(H,9,11,14).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 14216899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).