2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid

C6H8F3NO4S — CID 60828683

IUPAC2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10(3-5(11)12)4-1-2-4/h4H,1-3H2,(H,11,12)
InChIKeyHJDRPJGKPYJCCE-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.38
Rot. Bonds4

About 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid

2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid (PubChem CID 60828683) has the molecular formula C6H8F3NO4S and a molecular weight of 247.19 g/mol. Its IUPAC name is 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid
PubChem CID60828683
Molecular FormulaC6H8F3NO4S
Molecular Weight247.19 g/mol
Exact Mass247.01
IUPAC Name2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10(3-5(11)12)4-1-2-4/h4H,1-3H2,(H,11,12)
InChIKeyHJDRPJGKPYJCCE-UHFFFAOYSA-N
XLogP0.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid (CID 60828683) is 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid?
The InChIKey is HJDRPJGKPYJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10(3-5(11)12)4-1-2-4/h4H,1-3H2,(H,11,12).
What are the key properties of 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid?
2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid has a molecular weight of 247.19 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60828683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).