3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H14N2O4 — CID 102775469

IUPAC3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(=O)[nH]c2)C1C(=O)O
InChIInChI=1S/C12H14N2O4/c1-7-4-5-14(10(7)12(17)18)11(16)8-2-3-9(15)13-6-8/h2-3,6-7,10H,4-5H2,1H3,(H,13,15)(H,17,18)
InChIKeyZIWYTIHTWALLAA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102775469) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102775469
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(=O)[nH]c2)C1C(=O)O
InChIInChI=1S/C12H14N2O4/c1-7-4-5-14(10(7)12(17)18)11(16)8-2-3-9(15)13-6-8/h2-3,6-7,10H,4-5H2,1H3,(H,13,15)(H,17,18)
InChIKeyZIWYTIHTWALLAA-UHFFFAOYSA-N
XLogP0.31
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776148
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453
5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
CID 78989346
1-(3-amino-4-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780395
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
3-methyl-1-(3,4,5-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 102775425
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyridin-2-one
CID 65320539
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78959581
1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43120481

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 102775469) is 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)c2ccc(=O)[nH]c2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZIWYTIHTWALLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-4-5-14(10(7)12(17)18)11(16)8-2-3-9(15)13-6-8/h2-3,6-7,10H,4-5H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).