4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

C13H15NO4 — CID 6497235

IUPAC4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C13H15NO4/c15-12-2-1-7-14(12)8-9-18-11-5-3-10(4-6-11)13(16)17/h3-6H,1-2,7-9H2,(H,16,17)
InChIKeyASBZZVKNXFBYOF-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.39
Rot. Bonds5

About 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid (PubChem CID 6497235) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid
PubChem CID6497235
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C13H15NO4/c15-12-2-1-7-14(12)8-9-18-11-5-3-10(4-6-11)13(16)17/h3-6H,1-2,7-9H2,(H,16,17)
InChIKeyASBZZVKNXFBYOF-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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Related Compounds

Parethoxycaine
CID 7183
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
Butoxycaine
CID 16882
4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 825035
Butoxycaine Hydrochloride
CID 16881
4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride
CID 42937492
p-Hydroxybenzoylcholine
CID 151252
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
CID 2474678
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 2647994

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid (CID 6497235) is 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid is O=C(O)c1ccc(OCCN2CCCC2=O)cc1.
What is the InChIKey of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is ASBZZVKNXFBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12-2-1-7-14(12)8-9-18-11-5-3-10(4-6-11)13(16)17/h3-6H,1-2,7-9H2,(H,16,17).
What are the key properties of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid?
4-[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 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 6497235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).