(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid

C5H8F3NO5S — CID 107824076

IUPAC(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO5S/c6-5(7,8)15(13,14)9-3(1-2-10)4(11)12/h3,9-10H,1-2H2,(H,11,12)/t3-/m1/s1
InChIKeyHDRQHIOFLKSZJR-GSVOUGTGSA-N
MW251.18 g/mol
LogP-0.74
Rot. Bonds5

About (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid

(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid (PubChem CID 107824076) has the molecular formula C5H8F3NO5S and a molecular weight of 251.18 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
PubChem CID107824076
Molecular FormulaC5H8F3NO5S
Molecular Weight251.18 g/mol
Exact Mass251.01
IUPAC Name(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO5S/c6-5(7,8)15(13,14)9-3(1-2-10)4(11)12/h3,9-10H,1-2H2,(H,11,12)/t3-/m1/s1
InChIKeyHDRQHIOFLKSZJR-GSVOUGTGSA-N
XLogP-0.74
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]amino]-4-hydroxybutanoic acid
CID 118624501
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 107822678
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044
(2R)-4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 107824107
4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 54951469
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080
(2R)-4-hydroxy-2-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 107823042
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid (CID 107824076) is (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid is O=C(O)[C@@H](CCO)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid?
The InChIKey is HDRQHIOFLKSZJR-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8F3NO5S/c6-5(7,8)15(13,14)9-3(1-2-10)4(11)12/h3,9-10H,1-2H2,(H,11,12)/t3-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid?
(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid has a molecular weight of 251.18 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid is sourced from PubChem (CID 107824076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).