2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid

C10H14N2O3 — CID 84677638

IUPAC2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid
SMILESCC(C)c1cnc(C(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-5(2)7-4-11-8(12-9(7)13)6(3)10(14)15/h4-6H,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyGFDLKCCRBGXYSZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.08
Rot. Bonds3

About 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid

2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 84677638) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid
PubChem CID84677638
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid
SMILESCC(C)c1cnc(C(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-5(2)7-4-11-8(12-9(7)13)6(3)10(14)15/h4-6H,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyGFDLKCCRBGXYSZ-UHFFFAOYSA-N
XLogP1.08
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid (CID 84677638) is 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid is CC(C)c1cnc(C(C)C(=O)O)[nH]c1=O.
What is the InChIKey of 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is GFDLKCCRBGXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5(2)7-4-11-8(12-9(7)13)6(3)10(14)15/h4-6H,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid?
2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84677638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).