4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate

C13H14NO4- — CID 7438087

IUPAC4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
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)/p-1
InChIKeyASBZZVKNXFBYOF-UHFFFAOYSA-M
MW248.26 g/mol
LogP0.05
Rot. Bonds5

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

4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate (PubChem CID 7438087) has the molecular formula C13H14NO4- and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate.

Molecular Properties

Compound Name4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
PubChem CID7438087
Molecular FormulaC13H14NO4-
Molecular Weight248.26 g/mol
Exact Mass248.09
IUPAC Name4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
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)/p-1
InChIKeyASBZZVKNXFBYOF-UHFFFAOYSA-M
XLogP0.05
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406175
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate?
The IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate (CID 7438087) is 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate.
What is the SMILES notation for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate?
The canonical SMILES for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate is O=C([O-])c1ccc(OCCN2CCCC2=O)cc1.
What is the InChIKey of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate?
The InChIKey is ASBZZVKNXFBYOF-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate?
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate has a molecular weight of 248.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate is sourced from PubChem (CID 7438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).