2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid

C5H8F3NO5S — CID 106108250

IUPAC2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid
SMILESCOC(CNS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C5H8F3NO5S/c1-14-3(4(10)11)2-9-15(12,13)5(6,7)8/h3,9H,2H2,1H3,(H,10,11)
InChIKeyUUAUMQZJPDHTPG-UHFFFAOYSA-N
MW251.18 g/mol
LogP-0.47
Rot. Bonds5

About 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid

2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid (PubChem CID 106108250) has the molecular formula C5H8F3NO5S and a molecular weight of 251.18 g/mol. Its IUPAC name is 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid
PubChem CID106108250
Molecular FormulaC5H8F3NO5S
Molecular Weight251.18 g/mol
Exact Mass251.01
IUPAC Name2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid
SMILESCOC(CNS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C5H8F3NO5S/c1-14-3(4(10)11)2-9-15(12,13)5(6,7)8/h3,9H,2H2,1H3,(H,10,11)
InChIKeyUUAUMQZJPDHTPG-UHFFFAOYSA-N
XLogP-0.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid (CID 106108250) is 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid is COC(CNS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid?
The InChIKey is UUAUMQZJPDHTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO5S/c1-14-3(4(10)11)2-9-15(12,13)5(6,7)8/h3,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid?
2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid has a molecular weight of 251.18 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(trifluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 106108250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).