4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid

C10H13NO4 — CID 70037041

IUPAC4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid
SMILESCOc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-6-11(10(8)14)7-3-5-9(12)13/h2,4,6H,3,5,7H2,1H3,(H,12,13)
InChIKeyUJHCXOAWEXYOBD-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.72
Rot. Bonds5

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

4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 70037041) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid
PubChem CID70037041
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid
SMILESCOc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-6-11(10(8)14)7-3-5-9(12)13/h2,4,6H,3,5,7H2,1H3,(H,12,13)
InChIKeyUJHCXOAWEXYOBD-UHFFFAOYSA-N
XLogP0.72
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid (CID 70037041) is 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid is COc1cccn(CCCC(=O)O)c1=O.
What is the InChIKey of 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is UJHCXOAWEXYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-8-4-2-6-11(10(8)14)7-3-5-9(12)13/h2,4,6H,3,5,7H2,1H3,(H,12,13).
What are the key properties of 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid?
4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 70037041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).