2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid

C9H19NO5S — CID 89019194

IUPAC2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid
SMILESCC(C)(COCC(C)(C)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H19NO5S/c1-8(2,7(11)12)5-15-6-9(3,4)16(10,13)14/h5-6H2,1-4H3,(H,11,12)(H2,10,13,14)
InChIKeyLUQLCWTUVNWQLS-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.18
Rot. Bonds6

About 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid

2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid (PubChem CID 89019194) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid
PubChem CID89019194
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid
SMILESCC(C)(COCC(C)(C)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H19NO5S/c1-8(2,7(11)12)5-15-6-9(3,4)16(10,13)14/h5-6H2,1-4H3,(H,11,12)(H2,10,13,14)
InChIKeyLUQLCWTUVNWQLS-UHFFFAOYSA-N
XLogP0.18
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid (CID 89019194) is 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid is CC(C)(COCC(C)(C)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid?
The InChIKey is LUQLCWTUVNWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-8(2,7(11)12)5-15-6-9(3,4)16(10,13)14/h5-6H2,1-4H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid?
2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid has a molecular weight of 253.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid is sourced from PubChem (CID 89019194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).