2-(2,4-diethoxypyrimidin-5-yl)propanoic acid

C11H16N2O4 — CID 68741113

IUPAC2-(2,4-diethoxypyrimidin-5-yl)propanoic acid
SMILESCCOc1ncc(C(C)C(=O)O)c(OCC)n1
InChIInChI=1S/C11H16N2O4/c1-4-16-9-8(7(3)10(14)15)6-12-11(13-9)17-5-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKGPTVHUKJBJIOZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.46
Rot. Bonds6

About 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid

2-(2,4-diethoxypyrimidin-5-yl)propanoic acid (PubChem CID 68741113) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-diethoxypyrimidin-5-yl)propanoic acid
PubChem CID68741113
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2,4-diethoxypyrimidin-5-yl)propanoic acid
SMILESCCOc1ncc(C(C)C(=O)O)c(OCC)n1
InChIInChI=1S/C11H16N2O4/c1-4-16-9-8(7(3)10(14)15)6-12-11(13-9)17-5-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKGPTVHUKJBJIOZ-UHFFFAOYSA-N
XLogP1.46
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid (CID 68741113) is 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid is CCOc1ncc(C(C)C(=O)O)c(OCC)n1.
What is the InChIKey of 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
The InChIKey is KGPTVHUKJBJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-9-8(7(3)10(14)15)6-12-11(13-9)17-5-2/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
2-(2,4-diethoxypyrimidin-5-yl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxypyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 68741113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).