4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid

C14H20F3NO5 — CID 166158843

IUPAC4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20F3NO5/c15-14(16,17)23-11-5-10(6-11)22-7-12(19)18-9-3-1-8(2-4-9)13(20)21/h8-11H,1-7H2,(H,18,19)(H,20,21)
InChIKeyOLNLFGBWHSMPNH-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.83
Rot. Bonds6

About 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 166158843) has the molecular formula C14H20F3NO5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID166158843
Molecular FormulaC14H20F3NO5
Molecular Weight339.31 g/mol
Exact Mass339.13
IUPAC Name4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20F3NO5/c15-14(16,17)23-11-5-10(6-11)22-7-12(19)18-9-3-1-8(2-4-9)13(20)21/h8-11H,1-7H2,(H,18,19)(H,20,21)
InChIKeyOLNLFGBWHSMPNH-UHFFFAOYSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid (CID 166158843) is 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid is O=C(COC1CC(OC(F)(F)F)C1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OLNLFGBWHSMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO5/c15-14(16,17)23-11-5-10(6-11)22-7-12(19)18-9-3-1-8(2-4-9)13(20)21/h8-11H,1-7H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 339.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166158843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).