4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid

C8H10N2O4 — CID 82469291

IUPAC4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c11-6-4-7(12)10-5(9-6)2-1-3-8(13)14/h4H,1-3H2,(H,13,14)(H2,9,10,11,12)
InChIKeyROQCMHBGWWUSLG-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.12
Rot. Bonds4

About 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid

4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid (PubChem CID 82469291) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid
PubChem CID82469291
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c11-6-4-7(12)10-5(9-6)2-1-3-8(13)14/h4H,1-3H2,(H,13,14)(H2,9,10,11,12)
InChIKeyROQCMHBGWWUSLG-UHFFFAOYSA-N
XLogP-0.12
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The IUPAC name of 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid (CID 82469291) is 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The canonical SMILES for 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid is O=C(O)CCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The InChIKey is ROQCMHBGWWUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6-4-7(12)10-5(9-6)2-1-3-8(13)14/h4H,1-3H2,(H,13,14)(H2,9,10,11,12).
What are the key properties of 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 82469291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).