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

C7H8N2O4 — CID 853753

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKeyTZDMCKHDYUDRMB-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.07
Rot. Bonds2

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

2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 853753) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID853753
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKeyTZDMCKHDYUDRMB-UHFFFAOYSA-N
XLogP-1.07
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.07
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)acetic acid?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid (CID 853753) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid is Cc1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is TZDMCKHDYUDRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -1.07, 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)acetic acid is sourced from PubChem (CID 853753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).