(2,4-dioxopyrimidin-1-yl) propanoate

C7H8N2O4 — CID 174912968

IUPAC(2,4-dioxopyrimidin-1-yl) propanoate
SMILESCCC(=O)On1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-6(11)13-9-4-3-5(10)8-7(9)12/h3-4H,2H2,1H3,(H,8,10,12)
InChIKeyOSWQRFKPLPNTCU-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.10
Rot. Bonds2

About (2,4-dioxopyrimidin-1-yl) propanoate

(2,4-dioxopyrimidin-1-yl) propanoate (PubChem CID 174912968) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl) propanoate.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl) propanoate
PubChem CID174912968
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(2,4-dioxopyrimidin-1-yl) propanoate
SMILESCCC(=O)On1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-6(11)13-9-4-3-5(10)8-7(9)12/h3-4H,2H2,1H3,(H,8,10,12)
InChIKeyOSWQRFKPLPNTCU-UHFFFAOYSA-N
XLogP-1.10
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl) propanoate?
The IUPAC name of (2,4-dioxopyrimidin-1-yl) propanoate (CID 174912968) is (2,4-dioxopyrimidin-1-yl) propanoate.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl) propanoate?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl) propanoate is CCC(=O)On1ccc(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl) propanoate?
The InChIKey is OSWQRFKPLPNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-6(11)13-9-4-3-5(10)8-7(9)12/h3-4H,2H2,1H3,(H,8,10,12).
What are the key properties of (2,4-dioxopyrimidin-1-yl) propanoate?
(2,4-dioxopyrimidin-1-yl) propanoate has a molecular weight of 184.15 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl) propanoate is sourced from PubChem (CID 174912968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).