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

C7H8N2O3 — CID 84652927

IUPAC2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nccc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4(7(11)12)6-8-3-2-5(10)9-6/h2-4H,1H3,(H,11,12)(H,8,9,10)
InChIKeyFWYOZDMCRIPMLL-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.04
Rot. Bonds2

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

2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 84652927) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID84652927
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nccc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4(7(11)12)6-8-3-2-5(10)9-6/h2-4H,1H3,(H,11,12)(H,8,9,10)
InChIKeyFWYOZDMCRIPMLL-UHFFFAOYSA-N
XLogP-0.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 84652927) is 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid is CC(C(=O)O)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is FWYOZDMCRIPMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4(7(11)12)6-8-3-2-5(10)9-6/h2-4H,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid?
2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84652927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).