2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

C5H9F3N2O5S — CID 114806487

IUPAC2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O5S/c6-5(7,8)2-10-16(14,15)9-1-3(11)4(12)13/h3,9-11H,1-2H2,(H,12,13)
InChIKeyUYVHFLBSBMPFBV-UHFFFAOYSA-N
MW266.20 g/mol
LogP-1.58
Rot. Bonds6

About 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (PubChem CID 114806487) has the molecular formula C5H9F3N2O5S and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
PubChem CID114806487
Molecular FormulaC5H9F3N2O5S
Molecular Weight266.20 g/mol
Exact Mass266.02
IUPAC Name2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O5S/c6-5(7,8)2-10-16(14,15)9-1-3(11)4(12)13/h3,9-11H,1-2H2,(H,12,13)
InChIKeyUYVHFLBSBMPFBV-UHFFFAOYSA-N
XLogP-1.58
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (CID 114806487) is 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The InChIKey is UYVHFLBSBMPFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O5S/c6-5(7,8)2-10-16(14,15)9-1-3(11)4(12)13/h3,9-11H,1-2H2,(H,12,13).
What are the key properties of 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid has a molecular weight of 266.20 g/mol, XLogP of -1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114806487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).