(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate

C13H15ClN2O3 — CID 2371657

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-4-10(11(15)7-9)13(18)19-8-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8,15H2
InChIKeyNFMFEUVPYVMOEC-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.70
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate (PubChem CID 2371657) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
PubChem CID2371657
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-4-10(11(15)7-9)13(18)19-8-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8,15H2
InChIKeyNFMFEUVPYVMOEC-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.70
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-Morpholin-4-yl-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 2096562
(2-Morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
CID 2097201
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
CID 2371630
[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-(Benzylcarbamoylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2410001
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2627495
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-amino-4-chlorobenzoate
CID 2999002
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 3347965
[2-[Benzyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4141016
[2-(3-Chloro-2-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888034

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate (CID 2371657) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate is Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate?
The InChIKey is NFMFEUVPYVMOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-3-4-10(11(15)7-9)13(18)19-8-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8,15H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate has a molecular weight of 282.73 g/mol, XLogP of 1.70, 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-4-chlorobenzoate is sourced from PubChem (CID 2371657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).