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

Name: 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₇F₃N₂O₄ — CID 63904921

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID	63904921
Molecular Formula	C₁₁H₁₇F₃N₂O₄
Molecular Weight	298.26 g/mol
Exact Mass	298.11
IUPAC Name	2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid
SMILES	O=C(O)COC1CCN(CC(=O)NCC(F)(F)F)CC1
InChI	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)
InChIKey	DXAJMFATYLURRE-UHFFFAOYSA-N
XLogP	0.23
TPSA	78.87 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.26
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 63904921 — identifiers, structure, computed properties (public domain)

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