potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate

C16H14F3KN2O4 — CID 167833870

IUPACpotassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate
SMILESO=C(NCc1cccc(C(F)(F)F)c1)NC(Cc1ccoc1)C(=O)[O-].[K+]
InChIInChI=1S/C16H15F3N2O4.K/c17-16(18,19)12-3-1-2-10(6-12)8-20-15(24)21-13(14(22)23)7-11-4-5-25-9-11;/h1-6,9,13H,7-8H2,(H,22,23)(H2,20,21,24);/q;+1/p-1
InChIKeyUXLMNHRSJCLUFO-UHFFFAOYSA-M
MW394.39 g/mol
LogP-1.54
Rot. Bonds6

About potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate

potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate (PubChem CID 167833870) has the molecular formula C16H14F3KN2O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate.

Molecular Properties

Compound Namepotassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate
PubChem CID167833870
Molecular FormulaC16H14F3KN2O4
Molecular Weight394.39 g/mol
Exact Mass394.05
IUPAC Namepotassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate
SMILESO=C(NCc1cccc(C(F)(F)F)c1)NC(Cc1ccoc1)C(=O)[O-].[K+]
InChIInChI=1S/C16H15F3N2O4.K/c17-16(18,19)12-3-1-2-10(6-12)8-20-15(24)21-13(14(22)23)7-11-4-5-25-9-11;/h1-6,9,13H,7-8H2,(H,22,23)(H2,20,21,24);/q;+1/p-1
InChIKeyUXLMNHRSJCLUFO-UHFFFAOYSA-M
XLogP-1.54
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate?
The IUPAC name of potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate (CID 167833870) is potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate.
What is the SMILES notation for potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate?
The canonical SMILES for potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate is O=C(NCc1cccc(C(F)(F)F)c1)NC(Cc1ccoc1)C(=O)[O-].[K+].
What is the InChIKey of potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate?
The InChIKey is UXLMNHRSJCLUFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15F3N2O4.K/c17-16(18,19)12-3-1-2-10(6-12)8-20-15(24)21-13(14(22)23)7-11-4-5-25-9-11;/h1-6,9,13H,7-8H2,(H,22,23)(H2,20,21,24);/q;+1/p-1.
What are the key properties of potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate?
potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate has a molecular weight of 394.39 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(furan-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate is sourced from PubChem (CID 167833870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).