1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid

C11H12N2O3 — CID 171100779

IUPAC1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCc1ccc(N2C(=O)CCC2C(=O)O)cn1
InChIInChI=1S/C11H12N2O3/c1-7-2-3-8(6-12-7)13-9(11(15)16)4-5-10(13)14/h2-3,6,9H,4-5H2,1H3,(H,15,16)
InChIKeyOINSICJZYJYCGV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.97
Rot. Bonds2

About 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid

1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 171100779) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID171100779
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCc1ccc(N2C(=O)CCC2C(=O)O)cn1
InChIInChI=1S/C11H12N2O3/c1-7-2-3-8(6-12-7)13-9(11(15)16)4-5-10(13)14/h2-3,6,9H,4-5H2,1H3,(H,15,16)
InChIKeyOINSICJZYJYCGV-UHFFFAOYSA-N
XLogP0.97
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid (CID 171100779) is 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid is Cc1ccc(N2C(=O)CCC2C(=O)O)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OINSICJZYJYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-2-3-8(6-12-7)13-9(11(15)16)4-5-10(13)14/h2-3,6,9H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid?
1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 171100779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).