2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid

C10H14N2O2 — CID 83857547

IUPAC2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
SMILESCC(C)c1nccc(C(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O2/c1-6(2)9-11-5-4-8(12-9)7(3)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKeySSTWOMLTNPLSOP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid

2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid (PubChem CID 83857547) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
PubChem CID83857547
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
SMILESCC(C)c1nccc(C(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O2/c1-6(2)9-11-5-4-8(12-9)7(3)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKeySSTWOMLTNPLSOP-UHFFFAOYSA-N
XLogP1.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid (CID 83857547) is 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid is CC(C)c1nccc(C(C)C(=O)O)n1.
What is the InChIKey of 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid?
The InChIKey is SSTWOMLTNPLSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)9-11-5-4-8(12-9)7(3)10(13)14/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid?
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 83857547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).