2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid

C10H21NO5S — CID 54947653

IUPAC2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
SMILESCOCCN(CC(C)C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H21NO5S/c1-8(2)7-11(5-6-16-4)17(14,15)9(3)10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeySWBIJHLTNKUSRF-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.39
Rot. Bonds8

About 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid

2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid (PubChem CID 54947653) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
PubChem CID54947653
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
SMILESCOCCN(CC(C)C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H21NO5S/c1-8(2)7-11(5-6-16-4)17(14,15)9(3)10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeySWBIJHLTNKUSRF-UHFFFAOYSA-N
XLogP0.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid (CID 54947653) is 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid is COCCN(CC(C)C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
The InChIKey is SWBIJHLTNKUSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-8(2)7-11(5-6-16-4)17(14,15)9(3)10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).