4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid

C9H18N2O6S — CID 114462060

IUPAC4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H18N2O6S/c1-7(2)17-9(14)10-18(15,16)11(3)6-4-5-8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyHRFBFUSQWTVBBX-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.16
Rot. Bonds7

About 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid

4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid (PubChem CID 114462060) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
PubChem CID114462060
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H18N2O6S/c1-7(2)17-9(14)10-18(15,16)11(3)6-4-5-8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyHRFBFUSQWTVBBX-UHFFFAOYSA-N
XLogP0.16
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic 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-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 113588646
1-(Propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113588649
2-Methyl-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 113588713
3-Methyl-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 113588714
Methyl 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoate
CID 113589126
4-(Propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114461882
4-[Ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462057
4-[Methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462062
4-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462146
4-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462148
4-[Methoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462150
3-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462276

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid (CID 114462060) is 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid is CC(C)OC(=O)NS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The InChIKey is HRFBFUSQWTVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-7(2)17-9(14)10-18(15,16)11(3)6-4-5-8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid has a molecular weight of 282.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 114462060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).