3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid

C13H16N2O3 — CID 114165050

IUPAC3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC1CCN(C)C1=O
InChIInChI=1S/C13H16N2O3/c1-8-7-9(13(17)18)3-4-10(8)14-11-5-6-15(2)12(11)16/h3-4,7,11,14H,5-6H2,1-2H3,(H,17,18)
InChIKeyFBWGVNKGJXWBPG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.34
Rot. Bonds3

About 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid

3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid (PubChem CID 114165050) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
PubChem CID114165050
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC1CCN(C)C1=O
InChIInChI=1S/C13H16N2O3/c1-8-7-9(13(17)18)3-4-10(8)14-11-5-6-15(2)12(11)16/h3-4,7,11,14H,5-6H2,1-2H3,(H,17,18)
InChIKeyFBWGVNKGJXWBPG-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid 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

4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3-nitrobenzoic acid
CID 106257127
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106257103
3-methyl-4-[(1-methylpyrrolidin-3-yl)amino]benzoic acid
CID 62711351
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131
3-methyl-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]benzoic acid
CID 65471841
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 71975561
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide
CID 96567970
4-[3-(2,4-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
The IUPAC name of 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid (CID 114165050) is 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid.
What is the SMILES notation for 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
The canonical SMILES for 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid is Cc1cc(C(=O)O)ccc1NC1CCN(C)C1=O.
What is the InChIKey of 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
The InChIKey is FBWGVNKGJXWBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-7-9(13(17)18)3-4-10(8)14-11-5-6-15(2)12(11)16/h3-4,7,11,14H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid is sourced from PubChem (CID 114165050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).