2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid

C12H20F3NO3 — CID 83198006

IUPAC2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-11(2,10(17)18)9-4-3-5-16(8-9)6-7-19-12(13,14)15/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyLUBCSKOPXLKWGL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid (PubChem CID 83198006) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid
PubChem CID83198006
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-11(2,10(17)18)9-4-3-5-16(8-9)6-7-19-12(13,14)15/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyLUBCSKOPXLKWGL-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid (CID 83198006) is 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(CCOC(F)(F)F)C1.
What is the InChIKey of 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid?
The InChIKey is LUBCSKOPXLKWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-11(2,10(17)18)9-4-3-5-16(8-9)6-7-19-12(13,14)15/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).