3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid

C9H20N2O4S — CID 62674301

IUPAC3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-6-11(3)16(14,15)10-7-8(2)9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyIRNVAGNURMYASH-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.27
Rot. Bonds8

About 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid

3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid (PubChem CID 62674301) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
PubChem CID62674301
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-6-11(3)16(14,15)10-7-8(2)9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyIRNVAGNURMYASH-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[butyl(methyl)sulfamoyl]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

3-[Methyl(4,4,4-trifluorobutylsulfamoyl)amino]propanoic acid
CID 115515856
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-Amino-2-methylpropanoic acid;3-(methylamino)propanoic acid
CID 175706063
3-[(4-Methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28783564
3-(Diethylsulfamoylamino)propanoic acid
CID 28783572
3-(Dipropylsulfamoylamino)propanoic acid
CID 43169479
3-[(3,5-Dimethylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 43172774
3-[(3-Methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 43210773

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid (CID 62674301) is 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid is CCCCN(C)S(=O)(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
The InChIKey is IRNVAGNURMYASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-5-6-11(3)16(14,15)10-7-8(2)9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid?
3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62674301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).