3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid

C10H20N2O6S — CID 114462543

IUPAC3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C10H20N2O6S/c1-5-12(6-8(4)9(13)14)19(16,17)11-10(15)18-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyHBXSCVXARPEQDR-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.41
Rot. Bonds7

About 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid

3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid (PubChem CID 114462543) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
PubChem CID114462543
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C10H20N2O6S/c1-5-12(6-8(4)9(13)14)19(16,17)11-10(15)18-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyHBXSCVXARPEQDR-UHFFFAOYSA-N
XLogP0.41
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Methoxy-2-methylpropyl)sulfamoyl-methylamino]propanoic acid
CID 65685182
3-[Cyclopropyl(ethoxycarbonylsulfamoyl)amino]propanoic acid
CID 113588586
3-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 113588589
3-[Tert-butyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 113588591
3-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 113588646
1-(Propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113588649
Methyl 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoate
CID 113589118
Methyl 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 113589119
3-[4-(Propan-2-yloxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid
CID 114462124
3-[Cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462173
3-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
3-[Methoxycarbonylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 114462210

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid (CID 114462543) is 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
The InChIKey is HBXSCVXARPEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-5-12(6-8(4)9(13)14)19(16,17)11-10(15)18-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid has a molecular weight of 296.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114462543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).