3-(4-tert-butylpyrimidin-5-yl)propanoic acid

C11H16N2O2 — CID 105461789

IUPAC3-(4-tert-butylpyrimidin-5-yl)propanoic acid
SMILESCC(C)(C)c1ncncc1CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)10-8(4-5-9(14)15)6-12-7-13-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyNLWUVJZEYATBQZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.79
Rot. Bonds3

About 3-(4-tert-butylpyrimidin-5-yl)propanoic acid

3-(4-tert-butylpyrimidin-5-yl)propanoic acid (PubChem CID 105461789) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-tert-butylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylpyrimidin-5-yl)propanoic acid
PubChem CID105461789
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(4-tert-butylpyrimidin-5-yl)propanoic acid
SMILESCC(C)(C)c1ncncc1CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)10-8(4-5-9(14)15)6-12-7-13-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyNLWUVJZEYATBQZ-UHFFFAOYSA-N
XLogP1.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylpyrimidin-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(4-tert-butylpyrimidin-5-yl)propanoic acid (CID 105461789) is 3-(4-tert-butylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-tert-butylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-tert-butylpyrimidin-5-yl)propanoic acid is CC(C)(C)c1ncncc1CCC(=O)O.
What is the InChIKey of 3-(4-tert-butylpyrimidin-5-yl)propanoic acid?
The InChIKey is NLWUVJZEYATBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)10-8(4-5-9(14)15)6-12-7-13-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-tert-butylpyrimidin-5-yl)propanoic acid?
3-(4-tert-butylpyrimidin-5-yl)propanoic acid has a molecular weight of 208.26 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 3-(4-tert-butylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 105461789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).