2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid

C10H19NO6S — CID 54951162

IUPAC2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO6S/c1-6(9(14)17-5)18(15,16)11-7(8(12)13)10(2,3)4/h6-7,11H,1-5H3,(H,12,13)
InChIKeyRUTKNLLWHCZTSD-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.03
Rot. Bonds5

About 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid

2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid (PubChem CID 54951162) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
PubChem CID54951162
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO6S/c1-6(9(14)17-5)18(15,16)11-7(8(12)13)10(2,3)4/h6-7,11H,1-5H3,(H,12,13)
InChIKeyRUTKNLLWHCZTSD-UHFFFAOYSA-N
XLogP-0.03
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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)-3,3-dimethylbutanoic acid
CID 43468064
methyl 2-(but-3-yn-2-ylsulfamoyl)propanoate
CID 114419096
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid (CID 54951162) is 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid is COC(=O)C(C)S(=O)(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
The InChIKey is RUTKNLLWHCZTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-6(9(14)17-5)18(15,16)11-7(8(12)13)10(2,3)4/h6-7,11H,1-5H3,(H,12,13).
What are the key properties of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid has a molecular weight of 281.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 54951162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).