(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid

C13H15F3N2O3 — CID 104939954

IUPAC(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-17-6-3-5-9(17)11(19)18-7-2-1-4-10(18)12(20)21/h3,5-6,10H,1-2,4,7-8H2,(H,20,21)/t10-/m1/s1
InChIKeyVEAZKCKSIWPCSY-SNVBAGLBSA-N
MW304.27 g/mol
LogP2.13
Rot. Bonds3

About (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 104939954) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID104939954
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-17-6-3-5-9(17)11(19)18-7-2-1-4-10(18)12(20)21/h3,5-6,10H,1-2,4,7-8H2,(H,20,21)/t10-/m1/s1
InChIKeyVEAZKCKSIWPCSY-SNVBAGLBSA-N
XLogP2.13
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]morpholine-3-carboxylic acid
CID 114608930
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
4-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 114608850
4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 114427000
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836
(2S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 124577082

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid (CID 104939954) is (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is VEAZKCKSIWPCSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)8-17-6-3-5-9(17)11(19)18-7-2-1-4-10(18)12(20)21/h3,5-6,10H,1-2,4,7-8H2,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 304.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104939954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).