4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid

C11H15NO4 — CID 10632947

IUPAC4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid
SMILESCCc1c(O)c(=O)ccn1CCCC(=O)O
InChIInChI=1S/C11H15NO4/c1-2-8-11(16)9(13)5-7-12(8)6-3-4-10(14)15/h5,7,16H,2-4,6H2,1H3,(H,14,15)
InChIKeyAKPBRUZOPCLMJN-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.98
Rot. Bonds5

About 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid

4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid (PubChem CID 10632947) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid
PubChem CID10632947
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid
SMILESCCc1c(O)c(=O)ccn1CCCC(=O)O
InChIInChI=1S/C11H15NO4/c1-2-8-11(16)9(13)5-7-12(8)6-3-4-10(14)15/h5,7,16H,2-4,6H2,1H3,(H,14,15)
InChIKeyAKPBRUZOPCLMJN-UHFFFAOYSA-N
XLogP0.98
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid (CID 10632947) is 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid is CCc1c(O)c(=O)ccn1CCCC(=O)O.
What is the InChIKey of 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid?
The InChIKey is AKPBRUZOPCLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-8-11(16)9(13)5-7-12(8)6-3-4-10(14)15/h5,7,16H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid?
4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 10632947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).