2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid

C8H12F3NO4S — CID 81164653

IUPAC2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO4S/c9-8(10,11)17(15,16)12-5-7(2-1-3-7)4-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyHWWLVJNXEWXXKZ-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.07
Rot. Bonds5

About 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164653) has the molecular formula C8H12F3NO4S and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164653
Molecular FormulaC8H12F3NO4S
Molecular Weight275.25 g/mol
Exact Mass275.04
IUPAC Name2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO4S/c9-8(10,11)17(15,16)12-5-7(2-1-3-7)4-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyHWWLVJNXEWXXKZ-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106
2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164357
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 106294972
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164750
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid (CID 81164653) is 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNS(=O)(=O)C(F)(F)F)CCC1.
What is the InChIKey of 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is HWWLVJNXEWXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4S/c9-8(10,11)17(15,16)12-5-7(2-1-3-7)4-6(13)14/h12H,1-5H2,(H,13,14).
What are the key properties of 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 275.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).