2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid

C11H17F3N2O4 — CID 79810798

IUPAC2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(N)(C(=O)N1CCC(OCC(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-10(15,11(12,13)14)9(19)16-4-2-7(3-5-16)20-6-8(17)18/h7H,2-6,15H2,1H3,(H,17,18)
InChIKeyLJPGRRJKKIAXNP-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.36
Rot. Bonds4

About 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid

2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 79810798) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid
PubChem CID79810798
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(N)(C(=O)N1CCC(OCC(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-10(15,11(12,13)14)9(19)16-4-2-7(3-5-16)20-6-8(17)18/h7H,2-6,15H2,1H3,(H,17,18)
InChIKeyLJPGRRJKKIAXNP-UHFFFAOYSA-N
XLogP0.36
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid (CID 79810798) is 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid is CC(N)(C(=O)N1CCC(OCC(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is LJPGRRJKKIAXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-10(15,11(12,13)14)9(19)16-4-2-7(3-5-16)20-6-8(17)18/h7H,2-6,15H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 298.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 79810798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).