3-(4-methoxypyrimidin-5-yl)propanoic acid

C8H10N2O3 — CID 82654769

IUPAC3-(4-methoxypyrimidin-5-yl)propanoic acid
SMILESCOc1ncncc1CCC(=O)O
InChIInChI=1S/C8H10N2O3/c1-13-8-6(2-3-7(11)12)4-9-5-10-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNEIDSJJSUACAJQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.50
Rot. Bonds4

About 3-(4-methoxypyrimidin-5-yl)propanoic acid

3-(4-methoxypyrimidin-5-yl)propanoic acid (PubChem CID 82654769) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(4-methoxypyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxypyrimidin-5-yl)propanoic acid
PubChem CID82654769
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(4-methoxypyrimidin-5-yl)propanoic acid
SMILESCOc1ncncc1CCC(=O)O
InChIInChI=1S/C8H10N2O3/c1-13-8-6(2-3-7(11)12)4-9-5-10-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNEIDSJJSUACAJQ-UHFFFAOYSA-N
XLogP0.50
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(4-methoxypyrimidin-5-yl)propanoic acid (CID 82654769) is 3-(4-methoxypyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-methoxypyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-methoxypyrimidin-5-yl)propanoic acid is COc1ncncc1CCC(=O)O.
What is the InChIKey of 3-(4-methoxypyrimidin-5-yl)propanoic acid?
The InChIKey is NEIDSJJSUACAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8-6(2-3-7(11)12)4-9-5-10-8/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(4-methoxypyrimidin-5-yl)propanoic acid?
3-(4-methoxypyrimidin-5-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 82654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).