2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid

C5H7F3N2O5S — CID 43465623

IUPAC2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O5S/c6-5(7,8)16(14,15)10-1-3(11)9-2-4(12)13/h10H,1-2H2,(H,9,11)(H,12,13)
InChIKeyRCGNCXHCDNSVMR-UHFFFAOYSA-N
MW264.18 g/mol
LogP-1.37
Rot. Bonds5

About 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid

2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid (PubChem CID 43465623) has the molecular formula C5H7F3N2O5S and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid
PubChem CID43465623
Molecular FormulaC5H7F3N2O5S
Molecular Weight264.18 g/mol
Exact Mass264.00
IUPAC Name2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O5S/c6-5(7,8)16(14,15)10-1-3(11)9-2-4(12)13/h10H,1-2H2,(H,9,11)(H,12,13)
InChIKeyRCGNCXHCDNSVMR-UHFFFAOYSA-N
XLogP-1.37
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid (CID 43465623) is 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid?
The InChIKey is RCGNCXHCDNSVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O5S/c6-5(7,8)16(14,15)10-1-3(11)9-2-4(12)13/h10H,1-2H2,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid?
2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid has a molecular weight of 264.18 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethylsulfonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43465623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).