4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid

C10H21NO5S — CID 122068838

IUPAC4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid
SMILESCOC(C)CS(=O)(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-8(16-4)7-17(14,15)11-10(2,3)6-5-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyPVZACZHZEQRGEK-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.58
Rot. Bonds8

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

4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid (PubChem CID 122068838) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid
PubChem CID122068838
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid
SMILESCOC(C)CS(=O)(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-8(16-4)7-17(14,15)11-10(2,3)6-5-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyPVZACZHZEQRGEK-UHFFFAOYSA-N
XLogP0.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid (CID 122068838) is 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid is COC(C)CS(=O)(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is PVZACZHZEQRGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-8(16-4)7-17(14,15)11-10(2,3)6-5-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid?
4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 122068838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).