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

C12H14N2O3 — CID 106257103

IUPAC4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESCN1CCC(Nc2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-14-7-6-10(11(14)15)13-9-4-2-8(3-5-9)12(16)17/h2-5,10,13H,6-7H2,1H3,(H,16,17)
InChIKeyFRVQSICJOOTHAM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.03
Rot. Bonds3

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

4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid (PubChem CID 106257103) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
PubChem CID106257103
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESCN1CCC(Nc2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-14-7-6-10(11(14)15)13-9-4-2-8(3-5-9)12(16)17/h2-5,10,13H,6-7H2,1H3,(H,16,17)
InChIKeyFRVQSICJOOTHAM-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 114165050
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoic acid
CID 23009320
3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
CID 132969975
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3-nitrobenzoic acid
CID 106257127
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
(3S)-3-(3,5-difluoroanilino)-1-methylpyrrolidin-2-one
CID 129369948
(3S)-3-[3-chloro-4-(piperidine-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
CID 96568037
3-(4-amino-3-methoxyanilino)-1-methylpyrrolidin-2-one
CID 106252196
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106259399
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-nitrobenzonitrile
CID 106256152

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
The IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid (CID 106257103) is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
The canonical SMILES for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid is CN1CCC(Nc2ccc(C(=O)O)cc2)C1=O.
What is the InChIKey of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
The InChIKey is FRVQSICJOOTHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-7-6-10(11(14)15)13-9-4-2-8(3-5-9)12(16)17/h2-5,10,13H,6-7H2,1H3,(H,16,17).
What are the key properties of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid?
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid is sourced from PubChem (CID 106257103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).