2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid

C11H17F3N2O4 — CID 63904921

IUPAC2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-15-9(17)5-16-3-1-8(2-4-16)20-6-10(18)19/h8H,1-7H2,(H,15,17)(H,18,19)
InChIKeyDXAJMFATYLURRE-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.23
Rot. Bonds6

About 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63904921) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID63904921
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-15-9(17)5-16-3-1-8(2-4-16)20-6-10(18)19/h8H,1-7H2,(H,15,17)(H,18,19)
InChIKeyDXAJMFATYLURRE-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid (CID 63904921) is 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is DXAJMFATYLURRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)7-15-9(17)5-16-3-1-8(2-4-16)20-6-10(18)19/h8H,1-7H2,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 298.26 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).