2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid

C15H20N2O3 — CID 63022107

IUPAC2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
SMILESCc1cc(NC(=O)N2CCCC2C)cc(C(=O)O)c1C
InChIInChI=1S/C15H20N2O3/c1-9-7-12(8-13(11(9)3)14(18)19)16-15(20)17-6-4-5-10(17)2/h7-8,10H,4-6H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPLTZORVLYHHHFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.02
Rot. Bonds2

About 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid

2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid (PubChem CID 63022107) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
PubChem CID63022107
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
SMILESCc1cc(NC(=O)N2CCCC2C)cc(C(=O)O)c1C
InChIInChI=1S/C15H20N2O3/c1-9-7-12(8-13(11(9)3)14(18)19)16-15(20)17-6-4-5-10(17)2/h7-8,10H,4-6H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPLTZORVLYHHHFY-UHFFFAOYSA-N
XLogP3.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63022785
5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
CID 63020173
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
3,5-dichloro-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 61206711
3,5-dibromo-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63112365
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
5-(cyclopropylmethylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 63023487

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid (CID 63022107) is 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid is Cc1cc(NC(=O)N2CCCC2C)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid?
The InChIKey is PLTZORVLYHHHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-7-12(8-13(11(9)3)14(18)19)16-15(20)17-6-4-5-10(17)2/h7-8,10H,4-6H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid?
2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63022107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).