4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid

C11H23NO5S — CID 122103362

IUPAC4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid
SMILESCCC(CS(=O)(=O)NC(C)(C)CCC(=O)O)OC
InChIInChI=1S/C11H23NO5S/c1-5-9(17-4)8-18(15,16)12-11(2,3)7-6-10(13)14/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyLFOXYKPQXLXKDJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.97
Rot. Bonds9

About 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid

4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid (PubChem CID 122103362) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid
PubChem CID122103362
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid
SMILESCCC(CS(=O)(=O)NC(C)(C)CCC(=O)O)OC
InChIInChI=1S/C11H23NO5S/c1-5-9(17-4)8-18(15,16)12-11(2,3)7-6-10(13)14/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyLFOXYKPQXLXKDJ-UHFFFAOYSA-N
XLogP0.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid (CID 122103362) is 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid is CCC(CS(=O)(=O)NC(C)(C)CCC(=O)O)OC.
What is the InChIKey of 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is LFOXYKPQXLXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-5-9(17-4)8-18(15,16)12-11(2,3)7-6-10(13)14/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid?
4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 281.37 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybutylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 122103362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).