3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid

C12H24N2O7S — CID 170688492

IUPAC3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid
SMILESCOCCNS(=O)(=O)NC(=O)OCC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O7S/c1-12(2,3)9(7-10(15)16)8-21-11(17)14-22(18,19)13-5-6-20-4/h9,13H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyPWEICOIYTQGUJD-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.33
Rot. Bonds9

About 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid

3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid (PubChem CID 170688492) has the molecular formula C12H24N2O7S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid
PubChem CID170688492
Molecular FormulaC12H24N2O7S
Molecular Weight340.40 g/mol
Exact Mass340.13
IUPAC Name3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid
SMILESCOCCNS(=O)(=O)NC(=O)OCC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O7S/c1-12(2,3)9(7-10(15)16)8-21-11(17)14-22(18,19)13-5-6-20-4/h9,13H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyPWEICOIYTQGUJD-UHFFFAOYSA-N
XLogP0.33
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid?
The IUPAC name of 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid (CID 170688492) is 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid is COCCNS(=O)(=O)NC(=O)OCC(CC(=O)O)C(C)(C)C.
What is the InChIKey of 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid?
The InChIKey is PWEICOIYTQGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O7S/c1-12(2,3)9(7-10(15)16)8-21-11(17)14-22(18,19)13-5-6-20-4/h9,13H,5-8H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid?
3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid has a molecular weight of 340.40 g/mol, XLogP of 0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoylcarbamoyloxymethyl)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 170688492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).