(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate

C13H14Cl2N2O3 — CID 2371630

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C13H14Cl2N2O3/c14-8-5-9(12(16)10(15)6-8)13(19)20-7-11(18)17-3-1-2-4-17/h5-6H,1-4,7,16H2
InChIKeyVAAMMWDZKUKPQC-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.35
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate (PubChem CID 2371630) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
PubChem CID2371630
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C13H14Cl2N2O3/c14-8-5-9(12(16)10(15)6-8)13(19)20-7-11(18)17-3-1-2-4-17/h5-6H,1-4,7,16H2
InChIKeyVAAMMWDZKUKPQC-UHFFFAOYSA-N
XLogP2.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2098298
(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-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2627495
[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-(Azepan-1-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 4804245
[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

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate (CID 2371630) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate is Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate?
The InChIKey is VAAMMWDZKUKPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-5-9(12(16)10(15)6-8)13(19)20-7-11(18)17-3-1-2-4-17/h5-6H,1-4,7,16H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate has a molecular weight of 317.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2371630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).