(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid

C8H15NO7S — CID 104965150

IUPAC(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C8H15NO7S/c1-4(10)6(7(11)12)9-17(14,15)5(2)8(13)16-3/h4-6,9-10H,1-3H3,(H,11,12)/t4-,5?,6+/m1/s1
InChIKeyIVHXULSAOITSIG-QBQQJPCDSA-N
MW269.28 g/mol
LogP-1.70
Rot. Bonds6

About (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid

(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid (PubChem CID 104965150) has the molecular formula C8H15NO7S and a molecular weight of 269.28 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
PubChem CID104965150
Molecular FormulaC8H15NO7S
Molecular Weight269.28 g/mol
Exact Mass269.06
IUPAC Name(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C8H15NO7S/c1-4(10)6(7(11)12)9-17(14,15)5(2)8(13)16-3/h4-6,9-10H,1-3H3,(H,11,12)/t4-,5?,6+/m1/s1
InChIKeyIVHXULSAOITSIG-QBQQJPCDSA-N
XLogP-1.70
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid with MolForge

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Related Compounds

(2S,3R)-2-(1-cyanoethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965148
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
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
CID 61455040
(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
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843
methyl 2-(but-3-yn-2-ylsulfamoyl)propanoate
CID 114419096
(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
CID 104935336
(2S)-5-ethoxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039393

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid (CID 104965150) is (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid is COC(=O)C(C)S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
The InChIKey is IVHXULSAOITSIG-QBQQJPCDSA-N. The full InChI is InChI=1S/C8H15NO7S/c1-4(10)6(7(11)12)9-17(14,15)5(2)8(13)16-3/h4-6,9-10H,1-3H3,(H,11,12)/t4-,5?,6+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid has a molecular weight of 269.28 g/mol, XLogP of -1.70, 6 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-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104965150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).