2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid

C8H9FN2O3 — CID 166585334

IUPAC2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid
SMILESCOc1ncc(F)c(C(C)C(=O)O)n1
InChIInChI=1S/C8H9FN2O3/c1-4(7(12)13)6-5(9)3-10-8(11-6)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyASEUAQPSNYWXES-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.81
Rot. Bonds3

About 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid

2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid (PubChem CID 166585334) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid
PubChem CID166585334
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid
SMILESCOc1ncc(F)c(C(C)C(=O)O)n1
InChIInChI=1S/C8H9FN2O3/c1-4(7(12)13)6-5(9)3-10-8(11-6)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyASEUAQPSNYWXES-UHFFFAOYSA-N
XLogP0.81
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid (CID 166585334) is 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid is COc1ncc(F)c(C(C)C(=O)O)n1.
What is the InChIKey of 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid?
The InChIKey is ASEUAQPSNYWXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-4(7(12)13)6-5(9)3-10-8(11-6)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid?
2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid has a molecular weight of 200.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxypyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 166585334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).