2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid

C11H15NO5S — CID 66167720

IUPAC2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C11H15NO5S/c13-10(11(14)15)8-12-18(16,17)7-6-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)
InChIKeyNHADIOMTRSSCQQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.41
Rot. Bonds7

About 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid

2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid (PubChem CID 66167720) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
PubChem CID66167720
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C11H15NO5S/c13-10(11(14)15)8-12-18(16,17)7-6-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)
InChIKeyNHADIOMTRSSCQQ-UHFFFAOYSA-N
XLogP-0.41
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931
N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid (CID 66167720) is 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid?
The InChIKey is NHADIOMTRSSCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c13-10(11(14)15)8-12-18(16,17)7-6-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15).
What are the key properties of 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid?
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid has a molecular weight of 273.31 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid is sourced from PubChem (CID 66167720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).