2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid

C8H18N2O5S — CID 114814539

IUPAC2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCNS(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-8(2,7(11)12)10(3)16(13,14)9-5-6-15-4/h9H,5-6H2,1-4H3,(H,11,12)
InChIKeyXMTMSQUFPNOFED-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.74
Rot. Bonds7

About 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid

2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 114814539) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID114814539
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCNS(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-8(2,7(11)12)10(3)16(13,14)9-5-6-15-4/h9H,5-6H2,1-4H3,(H,11,12)
InChIKeyXMTMSQUFPNOFED-UHFFFAOYSA-N
XLogP-0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114805959
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114816735
2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
CID 114814756
2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820777
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid (CID 114814539) is 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid is COCCNS(=O)(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is XMTMSQUFPNOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-8(2,7(11)12)10(3)16(13,14)9-5-6-15-4/h9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114814539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).