2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H16N2O3 — CID 79363782

IUPAC2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC(C(=O)O)C2C)n1
InChIInChI=1S/C13H16N2O3/c1-8-4-3-5-11(14-8)12(16)15-7-6-10(9(15)2)13(17)18/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)
InChIKeyXIPHIXWJJSCVKA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79363782) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79363782
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC(C(=O)O)C2C)n1
InChIInChI=1S/C13H16N2O3/c1-8-4-3-5-11(14-8)12(16)15-7-6-10(9(15)2)13(17)18/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)
InChIKeyXIPHIXWJJSCVKA-UHFFFAOYSA-N
XLogP1.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 119186871
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43594569
2-(6-methylpyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 16793577
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 54580229
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364121
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(3S,4S)-1-(6-methylpyridine-2-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70761952
1-(6-methylpyridine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 16791558
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 79363782) is 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cccc(C(=O)N2CCC(C(=O)O)C2C)n1.
What is the InChIKey of 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XIPHIXWJJSCVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-4-3-5-11(14-8)12(16)15-7-6-10(9(15)2)13(17)18/h3-5,9-10H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79363782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).