(2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid

C7H10F3NO4 — CID 135039175

IUPAC(2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)(O)C[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)4-2-6(14,15)1-3(11-4)5(12)13/h3-4,11,14-15H,1-2H2,(H,12,13)/t3-,4+/m0/s1
InChIKeyCNWAKCISSKWDJI-IUYQGCFVSA-N
MW229.15 g/mol
LogP-0.57
Rot. Bonds1

About (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid

(2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid (PubChem CID 135039175) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid
PubChem CID135039175
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name(2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)(O)C[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)4-2-6(14,15)1-3(11-4)5(12)13/h3-4,11,14-15H,1-2H2,(H,12,13)/t3-,4+/m0/s1
InChIKeyCNWAKCISSKWDJI-IUYQGCFVSA-N
XLogP-0.57
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid (CID 135039175) is (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)(O)C[C@H](C(F)(F)F)N1.
What is the InChIKey of (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The InChIKey is CNWAKCISSKWDJI-IUYQGCFVSA-N. The full InChI is InChI=1S/C7H10F3NO4/c8-7(9,10)4-2-6(14,15)1-3(11-4)5(12)13/h3-4,11,14-15H,1-2H2,(H,12,13)/t3-,4+/m0/s1.
What are the key properties of (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid?
(2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid has a molecular weight of 229.15 g/mol, XLogP of -0.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4,4-dihydroxy-6-(trifluoromethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 135039175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).