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

C7H5N3O4 — CID 21453656

IUPAC2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESN#Cc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H5N3O4/c8-1-4-2-10(3-5(11)12)7(14)9-6(4)13/h2H,3H2,(H,11,12)(H,9,13,14)
InChIKeyIOAZBYWRQMHWEG-UHFFFAOYSA-N
MW195.13 g/mol
LogP-1.51
Rot. Bonds2

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

2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 21453656) has the molecular formula C7H5N3O4 and a molecular weight of 195.13 g/mol. Its IUPAC name is 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID21453656
Molecular FormulaC7H5N3O4
Molecular Weight195.13 g/mol
Exact Mass195.03
IUPAC Name2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESN#Cc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H5N3O4/c8-1-4-2-10(3-5(11)12)7(14)9-6(4)13/h2H,3H2,(H,11,12)(H,9,13,14)
InChIKeyIOAZBYWRQMHWEG-UHFFFAOYSA-N
XLogP-1.51
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid (CID 21453656) is 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid is N#Cc1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is IOAZBYWRQMHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O4/c8-1-4-2-10(3-5(11)12)7(14)9-6(4)13/h2H,3H2,(H,11,12)(H,9,13,14).
What are the key properties of 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 195.13 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 21453656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).