[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate

C13H12Cl2N2O4 — CID 2627495

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C13H12Cl2N2O4/c14-7-4-8(12(16)9(15)5-7)13(20)21-6-11(19)17-3-1-2-10(17)18/h4-5H,1-3,6,16H2
InChIKeyWJMDILUSCPEKER-UHFFFAOYSA-N
MW331.16 g/mol
LogP1.88
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 2627495) has the molecular formula C13H12Cl2N2O4 and a molecular weight of 331.16 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID2627495
Molecular FormulaC13H12Cl2N2O4
Molecular Weight331.16 g/mol
Exact Mass330.02
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C13H12Cl2N2O4/c14-7-4-8(12(16)9(15)5-7)13(20)21-6-11(19)17-3-1-2-10(17)18/h4-5H,1-3,6,16H2
InChIKeyWJMDILUSCPEKER-UHFFFAOYSA-N
XLogP1.88
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2098298
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
CID 2371630
(2-Amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2389454
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2390725
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2399414
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 3472299
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2095375
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
CID 2371657
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-chloro-2-nitrobenzoate
CID 4306041
[2-[(2-Methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2106737
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2371635
[2-(2-Methylpropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2425291

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate (CID 2627495) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate is Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is WJMDILUSCPEKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4/c14-7-4-8(12(16)9(15)5-7)13(20)21-6-11(19)17-3-1-2-10(17)18/h4-5H,1-3,6,16H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 331.16 g/mol, XLogP of 1.88, 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] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2627495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).