3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid

C11H12N2O3 — CID 105359777

IUPAC3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid
SMILESCC1(c2ccccn2)CC(=O)NC1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-11(7-4-2-3-5-12-7)6-8(14)13-9(11)10(15)16/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyIERJLZLKJNPKQS-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.31
Rot. Bonds2

About 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid

3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 105359777) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid
PubChem CID105359777
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid
SMILESCC1(c2ccccn2)CC(=O)NC1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-11(7-4-2-3-5-12-7)6-8(14)13-9(11)10(15)16/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyIERJLZLKJNPKQS-UHFFFAOYSA-N
XLogP0.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid (CID 105359777) is 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid is CC1(c2ccccn2)CC(=O)NC1C(=O)O.
What is the InChIKey of 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is IERJLZLKJNPKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(7-4-2-3-5-12-7)6-8(14)13-9(11)10(15)16/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid?
3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 220.23 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-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).