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

C12H13F3N2O3 — CID 67062717

IUPAC2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C(O)CCC1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-3-1-7(6-16-9)5-8-2-4-10(18)17(8)11(19)20/h1,3,6,8,10,18H,2,4-5H2,(H,19,20)
InChIKeyIMQAUNJXQSHPAS-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.10
Rot. Bonds2

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

2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 67062717) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid
PubChem CID67062717
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C(O)CCC1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-3-1-7(6-16-9)5-8-2-4-10(18)17(8)11(19)20/h1,3,6,8,10,18H,2,4-5H2,(H,19,20)
InChIKeyIMQAUNJXQSHPAS-UHFFFAOYSA-N
XLogP2.10
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid (CID 67062717) is 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1C(O)CCC1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is IMQAUNJXQSHPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)9-3-1-7(6-16-9)5-8-2-4-10(18)17(8)11(19)20/h1,3,6,8,10,18H,2,4-5H2,(H,19,20).
What are the key properties of 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid?
2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67062717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).