[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate

C13H14N2O4 — CID 7890817

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C13H14N2O4/c14-10-5-3-9(4-6-10)13(18)19-8-12(17)15-7-1-2-11(15)16/h3-6H,1-2,7-8,14H2
InChIKeyZVBPMWIAVUMYFO-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.57
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate (PubChem CID 7890817) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
PubChem CID7890817
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C13H14N2O4/c14-10-5-3-9(4-6-10)13(18)19-8-12(17)15-7-1-2-11(15)16/h3-6H,1-2,7-8,14H2
InChIKeyZVBPMWIAVUMYFO-UHFFFAOYSA-N
XLogP0.57
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate
CID 4885358
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
CID 2628809
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 2630465
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557461
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404793
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988475
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] anthracene-9-carboxylate
CID 3662156
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 2633537
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2627836
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510585
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920586

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate (CID 7890817) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate is Nc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate?
The InChIKey is ZVBPMWIAVUMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c14-10-5-3-9(4-6-10)13(18)19-8-12(17)15-7-1-2-11(15)16/h3-6H,1-2,7-8,14H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate has a molecular weight of 262.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate is sourced from PubChem (CID 7890817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).