2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid

C9H18N2O6S — CID 114462167

IUPAC2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H18N2O6S/c1-6(2)11(5-8(12)13)18(15,16)10-9(14)17-7(3)4/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKeySVKPNOOATYZEKQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.16
Rot. Bonds6

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

2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid (PubChem CID 114462167) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
PubChem CID114462167
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H18N2O6S/c1-6(2)11(5-8(12)13)18(15,16)10-9(14)17-7(3)4/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKeySVKPNOOATYZEKQ-UHFFFAOYSA-N
XLogP0.16
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid (CID 114462167) is 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid is CC(C)OC(=O)NS(=O)(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
The InChIKey is SVKPNOOATYZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-6(2)11(5-8(12)13)18(15,16)10-9(14)17-7(3)4/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13).
What are the key properties of 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid has a molecular weight of 282.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 114462167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).