4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid

C8H15NO7S — CID 54951469

IUPAC4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)NC(CCO)C(=O)O
InChIInChI=1S/C8H15NO7S/c1-5(8(13)16-2)17(14,15)9-6(3-4-10)7(11)12/h5-6,9-10H,3-4H2,1-2H3,(H,11,12)
InChIKeyIBJUGVWAJABOHR-UHFFFAOYSA-N
MW269.27 g/mol
LogP-1.70
Rot. Bonds7

About 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid

4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid (PubChem CID 54951469) has the molecular formula C8H15NO7S and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
PubChem CID54951469
Molecular FormulaC8H15NO7S
Molecular Weight269.27 g/mol
Exact Mass269.06
IUPAC Name4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)NC(CCO)C(=O)O
InChIInChI=1S/C8H15NO7S/c1-5(8(13)16-2)17(14,15)9-6(3-4-10)7(11)12/h5-6,9-10H,3-4H2,1-2H3,(H,11,12)
InChIKeyIBJUGVWAJABOHR-UHFFFAOYSA-N
XLogP-1.70
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid with MolForge

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Related Compounds

(2R)-4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 107824107
(2S)-5-ethoxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039393
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 104965150
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid
CID 107824113
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
CID 61455040
(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
CID 107824076
(2R)-2-(1-cyanoethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005099
(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid (CID 54951469) is 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid is COC(=O)C(C)S(=O)(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
The InChIKey is IBJUGVWAJABOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO7S/c1-5(8(13)16-2)17(14,15)9-6(3-4-10)7(11)12/h5-6,9-10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid has a molecular weight of 269.27 g/mol, XLogP of -1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 54951469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).