4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid

C11H21NO4S — CID 122068945

IUPAC4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)CC1CCC1
InChIInChI=1S/C11H21NO4S/c1-11(2,7-6-10(13)14)12-17(15,16)8-9-4-3-5-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyZQZAXJWKTZGPDZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds7

About 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid

4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid (PubChem CID 122068945) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid
PubChem CID122068945
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)CC1CCC1
InChIInChI=1S/C11H21NO4S/c1-11(2,7-6-10(13)14)12-17(15,16)8-9-4-3-5-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyZQZAXJWKTZGPDZ-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid (CID 122068945) is 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is ZQZAXJWKTZGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,7-6-10(13)14)12-17(15,16)8-9-4-3-5-9/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid?
4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 122068945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).