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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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).