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

C13H16N2O3 — CID 63142818

IUPAC3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C)(C(=O)O)C2)cn1
InChIInChI=1S/C13H16N2O3/c1-9-3-4-10(7-14-9)11(16)15-6-5-13(2,8-15)12(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGVRIYVYNTWDJIX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.33
Rot. Bonds2

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

3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63142818) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63142818
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C)(C(=O)O)C2)cn1
InChIInChI=1S/C13H16N2O3/c1-9-3-4-10(7-14-9)11(16)15-6-5-13(2,8-15)12(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGVRIYVYNTWDJIX-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

3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529089
3-methyl-1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529248
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124682532
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129397514
1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146607

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 63142818) is 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCC(C)(C(=O)O)C2)cn1.
What is the InChIKey of 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GVRIYVYNTWDJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-3-4-10(7-14-9)11(16)15-6-5-13(2,8-15)12(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(6-methylpyridine-3-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 3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63142818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).