(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid

C11H9F3N2O3 — CID 67456864

IUPAC(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)8-3-1-6(5-15-8)16-7(10(18)19)2-4-9(16)17/h1,3,5,7H,2,4H2,(H,18,19)/t7-/m0/s1
InChIKeyZRSDTONTMQMRCF-ZETCQYMHSA-N
MW274.20 g/mol
LogP1.68
Rot. Bonds2

About (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid

(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 67456864) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID67456864
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)8-3-1-6(5-15-8)16-7(10(18)19)2-4-9(16)17/h1,3,5,7H,2,4H2,(H,18,19)/t7-/m0/s1
InChIKeyZRSDTONTMQMRCF-ZETCQYMHSA-N
XLogP1.68
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid (CID 67456864) is (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZRSDTONTMQMRCF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c12-11(13,14)8-3-1-6(5-15-8)16-7(10(18)19)2-4-9(16)17/h1,3,5,7H,2,4H2,(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid?
(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67456864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).