methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate

C6H11F3N2O5S — CID 103491388

IUPACmethyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O5S/c1-16-5(13)4(12)2-10-17(14,15)11-3-6(7,8)9/h4,10-12H,2-3H2,1H3
InChIKeyIGFRGCZSSZCVKP-UHFFFAOYSA-N
MW280.22 g/mol
LogP-1.49
Rot. Bonds6

About methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate

methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate (PubChem CID 103491388) has the molecular formula C6H11F3N2O5S and a molecular weight of 280.22 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate
PubChem CID103491388
Molecular FormulaC6H11F3N2O5S
Molecular Weight280.22 g/mol
Exact Mass280.03
IUPAC Namemethyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O5S/c1-16-5(13)4(12)2-10-17(14,15)11-3-6(7,8)9/h4,10-12H,2-3H2,1H3
InChIKeyIGFRGCZSSZCVKP-UHFFFAOYSA-N
XLogP-1.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-hydroxy-3-(trifluoromethylsulfonylamino)propanoate
CID 103491288
Methyl 3-(difluoromethylsulfonylamino)-2-hydroxypropanoate
CID 103946896
Methyl 2-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanoate
CID 103946941
2-Methoxy-3-(trifluoromethylsulfonylamino)propanoic acid
CID 106108250
3-(Difluoromethylsulfonylamino)-2-methoxypropanoic acid
CID 106108261
2-Methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 106108298
(2S)-2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 107835192
2-Hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806487
Methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate
CID 103491271
Methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate
CID 103491285
Methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate
CID 103491358
Methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate
CID 103491359

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate (CID 103491388) is methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate is COC(=O)C(O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate?
The InChIKey is IGFRGCZSSZCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O5S/c1-16-5(13)4(12)2-10-17(14,15)11-3-6(7,8)9/h4,10-12H,2-3H2,1H3.
What are the key properties of methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate has a molecular weight of 280.22 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate is sourced from PubChem (CID 103491388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).