(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate

C15H21N3O3 — CID 61323137

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1N
InChIInChI=1S/C15H21N3O3/c1-17(2)13-6-5-11(9-12(13)16)15(20)21-10-14(19)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyWKJPJVCGWJQIHP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate (PubChem CID 61323137) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
PubChem CID61323137
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1N
InChIInChI=1S/C15H21N3O3/c1-17(2)13-6-5-11(9-12(13)16)15(20)21-10-14(19)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyWKJPJVCGWJQIHP-UHFFFAOYSA-N
XLogP1.11
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-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

Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 4-(dimethylamino)-3-nitrobenzoate
CID 7257339
[2-(azepan-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2432654
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61322567
(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate
CID 78997712
[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61323136
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968028
3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61438484
2-methylpropyl 3-amino-4-(dimethylamino)benzoate
CID 61310435
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
CID 145271189
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
methyl 3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 43380297
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7650568

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate (CID 61323137) is (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1N.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate?
The InChIKey is WKJPJVCGWJQIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)13-6-5-11(9-12(13)16)15(20)21-10-14(19)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate has a molecular weight of 291.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate is sourced from PubChem (CID 61323137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).