2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid

C9H18N2O6S — CID 114462160

IUPAC2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C9H18N2O6S/c1-4-7(3)11(6-8(12)13)18(15,16)10-9(14)17-5-2/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyOLDCNDQTGCKUII-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.16
Rot. Bonds7

About 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid

2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid (PubChem CID 114462160) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid
PubChem CID114462160
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C9H18N2O6S/c1-4-7(3)11(6-8(12)13)18(15,16)10-9(14)17-5-2/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyOLDCNDQTGCKUII-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

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid (CID 114462160) is 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid is CCOC(=O)NS(=O)(=O)N(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid?
The InChIKey is OLDCNDQTGCKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-4-7(3)11(6-8(12)13)18(15,16)10-9(14)17-5-2/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid?
2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic 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 2-[butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 114462160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).