3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

C7H8N2O4 — CID 18970257

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h3H,1-2H2,(H,10,11)(H2,8,9,12,13)
InChIKeyANGNLWRUTCNXSE-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.92
Rot. Bonds3

About 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 18970257) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID18970257
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h3H,1-2H2,(H,10,11)(H2,8,9,12,13)
InChIKeyANGNLWRUTCNXSE-UHFFFAOYSA-N
XLogP-0.92
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (CID 18970257) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is O=C(O)CCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is ANGNLWRUTCNXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h3H,1-2H2,(H,10,11)(H2,8,9,12,13).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 18970257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).