3-(4-ethylpyrimidin-2-yl)butanoic acid

C10H14N2O2 — CID 116899958

IUPAC3-(4-ethylpyrimidin-2-yl)butanoic acid
SMILESCCc1ccnc(C(C)CC(=O)O)n1
InChIInChI=1S/C10H14N2O2/c1-3-8-4-5-11-10(12-8)7(2)6-9(13)14/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyAQVVTUTVIUYMLD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds4

About 3-(4-ethylpyrimidin-2-yl)butanoic acid

3-(4-ethylpyrimidin-2-yl)butanoic acid (PubChem CID 116899958) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4-ethylpyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-ethylpyrimidin-2-yl)butanoic acid
PubChem CID116899958
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(4-ethylpyrimidin-2-yl)butanoic acid
SMILESCCc1ccnc(C(C)CC(=O)O)n1
InChIInChI=1S/C10H14N2O2/c1-3-8-4-5-11-10(12-8)7(2)6-9(13)14/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyAQVVTUTVIUYMLD-UHFFFAOYSA-N
XLogP1.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpyrimidin-2-yl)butanoic acid?
The IUPAC name of 3-(4-ethylpyrimidin-2-yl)butanoic acid (CID 116899958) is 3-(4-ethylpyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 3-(4-ethylpyrimidin-2-yl)butanoic acid?
The canonical SMILES for 3-(4-ethylpyrimidin-2-yl)butanoic acid is CCc1ccnc(C(C)CC(=O)O)n1.
What is the InChIKey of 3-(4-ethylpyrimidin-2-yl)butanoic acid?
The InChIKey is AQVVTUTVIUYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-8-4-5-11-10(12-8)7(2)6-9(13)14/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethylpyrimidin-2-yl)butanoic acid?
3-(4-ethylpyrimidin-2-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 116899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).