2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O3 — CID 79258258

IUPAC2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCCCC1)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)8-15(7-10(18)19)6-9(17)16-4-2-1-3-5-16/h1-8H2,(H,18,19)
InChIKeyXSUQXLALPNAWAM-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258258) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258258
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCCCC1)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)8-15(7-10(18)19)6-9(17)16-4-2-1-3-5-16/h1-8H2,(H,18,19)
InChIKeyXSUQXLALPNAWAM-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258258) is 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(=O)N1CCCCC1)CC(F)(F)F.
What is the InChIKey of 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XSUQXLALPNAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)8-15(7-10(18)19)6-9(17)16-4-2-1-3-5-16/h1-8H2,(H,18,19).
What are the key properties of 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-piperidin-1-ylethyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).