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

C14H18N2O3 — CID 104823672

IUPAC2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(C(=O)O)C1c1ccc(C)nc1
InChIInChI=1S/C14H18N2O3/c1-3-6-16-12(17)7-11(14(18)19)13(16)10-5-4-9(2)15-8-10/h4-5,8,11,13H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyCGHVNRXTSSNOJD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.77
Rot. Bonds4

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

2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 104823672) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
PubChem CID104823672
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(C(=O)O)C1c1ccc(C)nc1
InChIInChI=1S/C14H18N2O3/c1-3-6-16-12(17)7-11(14(18)19)13(16)10-5-4-9(2)15-8-10/h4-5,8,11,13H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyCGHVNRXTSSNOJD-UHFFFAOYSA-N
XLogP1.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (CID 104823672) is 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is CCCN1C(=O)CC(C(=O)O)C1c1ccc(C)nc1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is CGHVNRXTSSNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-6-16-12(17)7-11(14(18)19)13(16)10-5-4-9(2)15-8-10/h4-5,8,11,13H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104823672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).