2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid

C10H15F3N2O4 — CID 55057833

IUPAC2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c1-7(8(16)17)14-2-4-15(5-3-14)9(18)19-6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyGHZJAVYMKUHKRQ-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.78
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid

2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid (PubChem CID 55057833) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid
PubChem CID55057833
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c1-7(8(16)17)14-2-4-15(5-3-14)9(18)19-6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyGHZJAVYMKUHKRQ-UHFFFAOYSA-N
XLogP0.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid (CID 55057833) is 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is GHZJAVYMKUHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-7(8(16)17)14-2-4-15(5-3-14)9(18)19-6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid?
2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 284.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethoxycarbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 55057833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).