2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid

C8H10N2O4 — CID 105451278

IUPAC2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCOc1cc(=O)[nH]c(C(C)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-4(8(12)13)7-9-5(11)3-6(10-7)14-2/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyLYYGJTROUKTKHV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.03
Rot. Bonds3

About 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid

2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 105451278) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID105451278
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCOc1cc(=O)[nH]c(C(C)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-4(8(12)13)7-9-5(11)3-6(10-7)14-2/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyLYYGJTROUKTKHV-UHFFFAOYSA-N
XLogP-0.03
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 105451278) is 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is COc1cc(=O)[nH]c(C(C)C(=O)O)n1.
What is the InChIKey of 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is LYYGJTROUKTKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(8(12)13)7-9-5(11)3-6(10-7)14-2/h3-4H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 105451278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).