2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid

C16H15NO5 — CID 18617634

IUPAC2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCCOC(=O)c1ccc(-c2ccc(=O)n(CC(=O)O)c2)cc1
InChIInChI=1S/C16H15NO5/c1-2-22-16(21)12-5-3-11(4-6-12)13-7-8-14(18)17(9-13)10-15(19)20/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyIJNANIVTKAFWDB-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.78
Rot. Bonds5

About 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid

2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 18617634) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID18617634
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCCOC(=O)c1ccc(-c2ccc(=O)n(CC(=O)O)c2)cc1
InChIInChI=1S/C16H15NO5/c1-2-22-16(21)12-5-3-11(4-6-12)13-7-8-14(18)17(9-13)10-15(19)20/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyIJNANIVTKAFWDB-UHFFFAOYSA-N
XLogP1.78
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid (CID 18617634) is 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid is CCOC(=O)c1ccc(-c2ccc(=O)n(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is IJNANIVTKAFWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-2-22-16(21)12-5-3-11(4-6-12)13-7-8-14(18)17(9-13)10-15(19)20/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 301.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxycarbonylphenyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 18617634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).