5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid

C12H11F3N2O3 — CID 50975353

IUPAC5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)9-2-1-7(4-16-9)5-17-6-8(11(19)20)3-10(17)18/h1-2,4,8H,3,5-6H2,(H,19,20)
InChIKeyZFEHNDHQTOSGQI-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.53
Rot. Bonds3

About 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 50975353) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID50975353
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)9-2-1-7(4-16-9)5-17-6-8(11(19)20)3-10(17)18/h1-2,4,8H,3,5-6H2,(H,19,20)
InChIKeyZFEHNDHQTOSGQI-UHFFFAOYSA-N
XLogP1.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid (CID 50975353) is 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZFEHNDHQTOSGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)9-2-1-7(4-16-9)5-17-6-8(11(19)20)3-10(17)18/h1-2,4,8H,3,5-6H2,(H,19,20).
What are the key properties of 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 288.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50975353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).