4-(2-cyclopropylpyrimidin-4-yl)butanoic acid

C11H14N2O2 — CID 83857577

IUPAC4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
SMILESO=C(O)CCCc1ccnc(C2CC2)n1
InChIInChI=1S/C11H14N2O2/c14-10(15)3-1-2-9-6-7-12-11(13-9)8-4-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyJTVDOXZXOMWIPO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.76
Rot. Bonds5

About 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid

4-(2-cyclopropylpyrimidin-4-yl)butanoic acid (PubChem CID 83857577) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
PubChem CID83857577
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
SMILESO=C(O)CCCc1ccnc(C2CC2)n1
InChIInChI=1S/C11H14N2O2/c14-10(15)3-1-2-9-6-7-12-11(13-9)8-4-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyJTVDOXZXOMWIPO-UHFFFAOYSA-N
XLogP1.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid?
The IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid (CID 83857577) is 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid?
The canonical SMILES for 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid is O=C(O)CCCc1ccnc(C2CC2)n1.
What is the InChIKey of 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid?
The InChIKey is JTVDOXZXOMWIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10(15)3-1-2-9-6-7-12-11(13-9)8-4-5-8/h6-8H,1-5H2,(H,14,15).
What are the key properties of 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid?
4-(2-cyclopropylpyrimidin-4-yl)butanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 83857577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).