5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid

C8H10F3NO4 — CID 87217284

IUPAC5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(16)12-3-4(13)1-2-5(12)6(14)15/h4-5,13H,1-3H2,(H,14,15)
InChIKeyPLUNRFDKIYLWFL-UHFFFAOYSA-N
MW241.16 g/mol
LogP-0.01
Rot. Bonds1

About 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid

5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid (PubChem CID 87217284) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
PubChem CID87217284
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(16)12-3-4(13)1-2-5(12)6(14)15/h4-5,13H,1-3H2,(H,14,15)
InChIKeyPLUNRFDKIYLWFL-UHFFFAOYSA-N
XLogP-0.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid
CID 166910012
(2S,5R)-5-(phenylmethoxyamino)-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 87217278
(5S)-6-(2,2,2-trifluoroacetyl)-1,2,6-triazaspiro[2.4]hept-1-ene-5-carboxylic acid
CID 166000778
5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 3016456
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
3,3-difluoro-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 167742508
2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
CID 171796784

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid (CID 87217284) is 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid is O=C(O)C1CCC(O)CN1C(=O)C(F)(F)F.
What is the InChIKey of 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid?
The InChIKey is PLUNRFDKIYLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)7(16)12-3-4(13)1-2-5(12)6(14)15/h4-5,13H,1-3H2,(H,14,15).
What are the key properties of 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid?
5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 87217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).