2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid

C11H17F3N2O3 — CID 114131763

IUPAC2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESCC(CC(F)(F)F)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H17F3N2O3/c1-7(5-11(12,13)14)15-9(19)16-10(3-2-4-10)6-8(17)18/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPJLRKULLJGSBLD-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 114131763) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID114131763
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESCC(CC(F)(F)F)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H17F3N2O3/c1-7(5-11(12,13)14)15-9(19)16-10(3-2-4-10)6-8(17)18/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPJLRKULLJGSBLD-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid (CID 114131763) is 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid is CC(CC(F)(F)F)NC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is PJLRKULLJGSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(5-11(12,13)14)15-9(19)16-10(3-2-4-10)6-8(17)18/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 114131763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).