4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid

C11H15NO3 — CID 13452657

IUPAC4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid
SMILESCc1cc(CCCC(=O)O)c(=O)n(C)c1
InChIInChI=1S/C11H15NO3/c1-8-6-9(4-3-5-10(13)14)11(15)12(2)7-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyFAVMIMFLEGZHHH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.10
Rot. Bonds4

About 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid

4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid (PubChem CID 13452657) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid
PubChem CID13452657
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid
SMILESCc1cc(CCCC(=O)O)c(=O)n(C)c1
InChIInChI=1S/C11H15NO3/c1-8-6-9(4-3-5-10(13)14)11(15)12(2)7-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyFAVMIMFLEGZHHH-UHFFFAOYSA-N
XLogP1.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid?
The IUPAC name of 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid (CID 13452657) is 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid is Cc1cc(CCCC(=O)O)c(=O)n(C)c1.
What is the InChIKey of 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid?
The InChIKey is FAVMIMFLEGZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-6-9(4-3-5-10(13)14)11(15)12(2)7-8/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid?
4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethyl-2-oxo-3-pyridinyl)butanoic acid is sourced from PubChem (CID 13452657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).