2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid

C14H16N2O4 — CID 63020187

IUPAC2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCc1cc(NC(=O)C2CCC(=O)N2)cc(C(=O)O)c1C
InChIInChI=1S/C14H16N2O4/c1-7-5-9(6-10(8(7)2)14(19)20)15-13(18)11-3-4-12(17)16-11/h5-6,11H,3-4H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyNSWHPIXKIXERJW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.22
Rot. Bonds3

About 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid

2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid (PubChem CID 63020187) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
PubChem CID63020187
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCc1cc(NC(=O)C2CCC(=O)N2)cc(C(=O)O)c1C
InChIInChI=1S/C14H16N2O4/c1-7-5-9(6-10(8(7)2)14(19)20)15-13(18)11-3-4-12(17)16-11/h5-6,11H,3-4H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyNSWHPIXKIXERJW-UHFFFAOYSA-N
XLogP1.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
CID 55142915
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43417240
N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 25249643
5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 55178259
5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63022785
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid (CID 63020187) is 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid is Cc1cc(NC(=O)C2CCC(=O)N2)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
The InChIKey is NSWHPIXKIXERJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-7-5-9(6-10(8(7)2)14(19)20)15-13(18)11-3-4-12(17)16-11/h5-6,11H,3-4H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63020187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).