methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate

C10H14N2O5 — CID 11644402

IUPACmethyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate
SMILESCCOC(CC(=O)OC)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-3-17-8(6-9(14)16-2)12-5-4-7(13)11-10(12)15/h4-5,8H,3,6H2,1-2H3,(H,11,13,15)
InChIKeyMGEXMZIIUOSORW-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.37
Rot. Bonds5

About methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate

methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate (PubChem CID 11644402) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate
PubChem CID11644402
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate
SMILESCCOC(CC(=O)OC)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-3-17-8(6-9(14)16-2)12-5-4-7(13)11-10(12)15/h4-5,8H,3,6H2,1-2H3,(H,11,13,15)
InChIKeyMGEXMZIIUOSORW-UHFFFAOYSA-N
XLogP-0.37
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate?
The IUPAC name of methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate (CID 11644402) is methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate.
What is the SMILES notation for methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate?
The canonical SMILES for methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate is CCOC(CC(=O)OC)n1ccc(=O)[nH]c1=O.
What is the InChIKey of methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate?
The InChIKey is MGEXMZIIUOSORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-3-17-8(6-9(14)16-2)12-5-4-7(13)11-10(12)15/h4-5,8H,3,6H2,1-2H3,(H,11,13,15).
What are the key properties of methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate?
methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate has a molecular weight of 242.23 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate is sourced from PubChem (CID 11644402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).