(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid

C7H15NO7S2 — CID 104935336

IUPAC(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO7S2/c1-5(9)6(7(10)11)8-17(14,15)4-3-16(2,12)13/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyNTNLVVAETWAGCZ-RITPCOANSA-N
MW289.33 g/mol
LogP-2.22
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid

(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid (PubChem CID 104935336) has the molecular formula C7H15NO7S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
PubChem CID104935336
Molecular FormulaC7H15NO7S2
Molecular Weight289.33 g/mol
Exact Mass289.03
IUPAC Name(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO7S2/c1-5(9)6(7(10)11)8-17(14,15)4-3-16(2,12)13/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyNTNLVVAETWAGCZ-RITPCOANSA-N
XLogP-2.22
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
CID 104932555
3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
(2S,3R)-2-(cyanomethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965161
(2S,3R)-3-hydroxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 104965164
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
CID 63856585
(2S,3R)-3-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 104966114
(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 104965150
(2S,3S)-2-[(2,6-dimethylphenyl)methylsulfonylamino]-3-hydroxybutanoic acid
CID 167770386

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid (CID 104935336) is (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid?
The InChIKey is NTNLVVAETWAGCZ-RITPCOANSA-N. The full InChI is InChI=1S/C7H15NO7S2/c1-5(9)6(7(10)11)8-17(14,15)4-3-16(2,12)13/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid?
(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid has a molecular weight of 289.33 g/mol, XLogP of -2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid is sourced from PubChem (CID 104935336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).