2-(2-oxo-1-pyridinyl)pentanoic acid

C10H13NO3 — CID 82032055

IUPAC2-(2-oxo-1-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)n1ccccc1=O
InChIInChI=1S/C10H13NO3/c1-2-5-8(10(13)14)11-7-4-3-6-9(11)12/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeyPCPFCJCMFJNDTE-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.27
Rot. Bonds4

About 2-(2-oxo-1-pyridinyl)pentanoic acid

2-(2-oxo-1-pyridinyl)pentanoic acid (PubChem CID 82032055) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)pentanoic acid
PubChem CID82032055
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2-oxo-1-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)n1ccccc1=O
InChIInChI=1S/C10H13NO3/c1-2-5-8(10(13)14)11-7-4-3-6-9(11)12/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeyPCPFCJCMFJNDTE-UHFFFAOYSA-N
XLogP1.27
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of 2-(2-oxo-1-pyridinyl)pentanoic acid (CID 82032055) is 2-(2-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)pentanoic acid is CCCC(C(=O)O)n1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is PCPFCJCMFJNDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-5-8(10(13)14)11-7-4-3-6-9(11)12/h3-4,6-8H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-oxo-1-pyridinyl)pentanoic acid?
2-(2-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 82032055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).