(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid

C8H10F3NO4 — CID 134586830

IUPAC(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](OC(=O)C(F)(F)F)CCN1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(15)16-4-1-2-12-5(3-4)6(13)14/h4-5,12H,1-3H2,(H,13,14)/t4-,5+/m1/s1
InChIKeyDYFCALUNESWCRW-UHNVWZDZSA-N
MW241.16 g/mol
LogP0.30
Rot. Bonds2

About (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid

(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid (PubChem CID 134586830) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid
PubChem CID134586830
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](OC(=O)C(F)(F)F)CCN1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(15)16-4-1-2-12-5(3-4)6(13)14/h4-5,12H,1-3H2,(H,13,14)/t4-,5+/m1/s1
InChIKeyDYFCALUNESWCRW-UHNVWZDZSA-N
XLogP0.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-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

(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate
CID 169430385
[(3R,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 67429484
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
4-(3-fluorophenoxy)piperidine-2-carboxylic acid
CID 115043003
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
4-(3-methylphenoxy)piperidine-2-carboxylic acid
CID 115040790
(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate
CID 91692563
1,3-thiazolidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172787478
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 178194781
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 129315200

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid (CID 134586830) is (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](OC(=O)C(F)(F)F)CCN1.
What is the InChIKey of (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid?
The InChIKey is DYFCALUNESWCRW-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)7(15)16-4-1-2-12-5(3-4)6(13)14/h4-5,12H,1-3H2,(H,13,14)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid?
(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid is sourced from PubChem (CID 134586830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).