2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid

C7H12F3NO4S — CID 63066774

IUPAC2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-5(2)3-11(4-6(12)13)16(14,15)7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyNURYKXXTIQGPPC-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.88
Rot. Bonds5

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

2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid (PubChem CID 63066774) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
PubChem CID63066774
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-5(2)3-11(4-6(12)13)16(14,15)7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyNURYKXXTIQGPPC-UHFFFAOYSA-N
XLogP0.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid (CID 63066774) is 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid is CC(C)CN(CC(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid?
The InChIKey is NURYKXXTIQGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-5(2)3-11(4-6(12)13)16(14,15)7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid?
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid has a molecular weight of 263.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 63066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).