2-(4-oxo-1-pyridinyl)propanoic acid

C8H9NO3 — CID 62880489

IUPAC2-(4-oxo-1-pyridinyl)propanoic acid
SMILESCC(C(=O)O)n1ccc(=O)cc1
InChIInChI=1S/C8H9NO3/c1-6(8(11)12)9-4-2-7(10)3-5-9/h2-6H,1H3,(H,11,12)
InChIKeyBSMRDIRHALQMAC-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.49
Rot. Bonds2

About 2-(4-oxo-1-pyridinyl)propanoic acid

2-(4-oxo-1-pyridinyl)propanoic acid (PubChem CID 62880489) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(4-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(4-oxo-1-pyridinyl)propanoic acid
PubChem CID62880489
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(4-oxo-1-pyridinyl)propanoic acid
SMILESCC(C(=O)O)n1ccc(=O)cc1
InChIInChI=1S/C8H9NO3/c1-6(8(11)12)9-4-2-7(10)3-5-9/h2-6H,1H3,(H,11,12)
InChIKeyBSMRDIRHALQMAC-UHFFFAOYSA-N
XLogP0.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-(4-oxo-1-pyridinyl)propanoic acid (CID 62880489) is 2-(4-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(4-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-(4-oxo-1-pyridinyl)propanoic acid is CC(C(=O)O)n1ccc(=O)cc1.
What is the InChIKey of 2-(4-oxo-1-pyridinyl)propanoic acid?
The InChIKey is BSMRDIRHALQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6(8(11)12)9-4-2-7(10)3-5-9/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(4-oxo-1-pyridinyl)propanoic acid?
2-(4-oxo-1-pyridinyl)propanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 62880489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).