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

C11H22N2O6S — CID 114462148

IUPAC4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O6S/c1-8(2)13(7-5-6-10(14)15)20(17,18)12-11(16)19-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyHPIBEYJEILNFLC-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.94
Rot. Bonds8

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

4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid (PubChem CID 114462148) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
PubChem CID114462148
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O6S/c1-8(2)13(7-5-6-10(14)15)20(17,18)12-11(16)19-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyHPIBEYJEILNFLC-UHFFFAOYSA-N
XLogP0.94
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 113588646
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-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462060
4-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462146
4-[Methoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462150
3-[Cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462173
3-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
2-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462480
3-[Ethoxycarbonylsulfamoyl(ethyl)amino]butanoic acid
CID 114462539
4-(Propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114462709

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid (CID 114462148) is 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid is CC(C)OC(=O)NS(=O)(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The InChIKey is HPIBEYJEILNFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-8(2)13(7-5-6-10(14)15)20(17,18)12-11(16)19-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid has a molecular weight of 310.37 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 114462148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).