(2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate

C15H20N2O3 — CID 2370481

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-16(2)13-7-5-12(6-8-13)15(19)20-11-14(18)17-9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHIJJKKBYPAMSIR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate (PubChem CID 2370481) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate
PubChem CID2370481
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-16(2)13-7-5-12(6-8-13)15(19)20-11-14(18)17-9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHIJJKKBYPAMSIR-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate (CID 2370481) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate?
The InChIKey is HIJJKKBYPAMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(2)13-7-5-12(6-8-13)15(19)20-11-14(18)17-9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate is sourced from PubChem (CID 2370481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).