2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

C13H15NO4 — CID 6485816

IUPAC2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C13H15NO4/c15-12-6-3-7-14(12)8-9-18-11-5-2-1-4-10(11)13(16)17/h1-2,4-5H,3,6-9H2,(H,16,17)
InChIKeyQQCXSNCLVWSWPL-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.39
Rot. Bonds5

About 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid (PubChem CID 6485816) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid
PubChem CID6485816
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C13H15NO4/c15-12-6-3-7-14(12)8-9-18-11-5-2-1-4-10(11)13(16)17/h1-2,4-5H,3,6-9H2,(H,16,17)
InChIKeyQQCXSNCLVWSWPL-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid (CID 6485816) is 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is QQCXSNCLVWSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12-6-3-7-14(12)8-9-18-11-5-2-1-4-10(11)13(16)17/h1-2,4-5H,3,6-9H2,(H,16,17).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 6485816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).