4-pyridin-3-ylbutanoic acid

C9H11NO2 — CID 114

IUPAC4-pyridin-3-ylbutanoic acid
SMILESO=C(O)CCCc1cccnc1
InChIInChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12)
InChIKeyMFYZACBRKCFXDV-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.49
Rot. Bonds4

About 4-pyridin-3-ylbutanoic acid

4-pyridin-3-ylbutanoic acid (PubChem CID 114) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-pyridin-3-ylbutanoic acid
PubChem CID114
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-pyridin-3-ylbutanoic acid
SMILESO=C(O)CCCc1cccnc1
InChIInChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12)
InChIKeyMFYZACBRKCFXDV-UHFFFAOYSA-N
XLogP1.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-pyridin-3-ylbutanoic acid (CID 114) is 4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-pyridin-3-ylbutanoic acid is O=C(O)CCCc1cccnc1.
What is the InChIKey of 4-pyridin-3-ylbutanoic acid?
The InChIKey is MFYZACBRKCFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12).
What are the key properties of 4-pyridin-3-ylbutanoic acid?
4-pyridin-3-ylbutanoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).