2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid

C11H15NO4 — CID 11550352

IUPAC2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
SMILESCCC(C(=O)O)C1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C11H15NO4/c1-3-9(10(13)14)8-4-6-12(7-5-8)11(15)16-2/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyQTGGFOLTJSZVOI-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.82
Rot. Bonds3

About 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid

2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid (PubChem CID 11550352) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
PubChem CID11550352
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
SMILESCCC(C(=O)O)C1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C11H15NO4/c1-3-9(10(13)14)8-4-6-12(7-5-8)11(15)16-2/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyQTGGFOLTJSZVOI-UHFFFAOYSA-N
XLogP1.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid?
The IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid (CID 11550352) is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid is CCC(C(=O)O)C1C=CN(C(=O)OC)C=C1.
What is the InChIKey of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid?
The InChIKey is QTGGFOLTJSZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-9(10(13)14)8-4-6-12(7-5-8)11(15)16-2/h4-9H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid?
2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid is sourced from PubChem (CID 11550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).