(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

C12H11F3N2O4 — CID 61137347

IUPAC(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-6(9(18)16-8)10(19)17-5-1-2-7(17)11(20)21/h3-4,7H,1-2,5H2,(H,16,18)(H,20,21)/t7-/m0/s1
InChIKeySBXUJMGXEYHHSL-ZETCQYMHSA-N
MW304.22 g/mol
LogP1.08
Rot. Bonds2

About (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 61137347) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID61137347
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-6(9(18)16-8)10(19)17-5-1-2-7(17)11(20)21/h3-4,7H,1-2,5H2,(H,16,18)(H,20,21)/t7-/m0/s1
InChIKeySBXUJMGXEYHHSL-ZETCQYMHSA-N
XLogP1.08
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 43355534
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
CID 43630550
methyl (2S,4S)-4-({[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]carbonyl}amino)-1-methylpyrrolidine-2-carboxylate
CID 50977449
3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 61408634
2-[methyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 61817798
5-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
CID 64061492
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 66261820
(2R)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 78920166
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79030447
(2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
CID 107562864
(2S)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
CID 107563901
(2R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371374

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 61137347) is (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SBXUJMGXEYHHSL-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-6(9(18)16-8)10(19)17-5-1-2-7(17)11(20)21/h3-4,7H,1-2,5H2,(H,16,18)(H,20,21)/t7-/m0/s1.
What are the key properties of (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 304.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).