2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid

C9H18N2O6S — CID 114462442

IUPAC2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C9H18N2O6S/c1-6(2)17-9(14)10-18(15,16)11(4)5-7(3)8(12)13/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKeyDVSNHTAQVNFYQT-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.02
Rot. Bonds6

About 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid

2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (PubChem CID 114462442) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
PubChem CID114462442
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C9H18N2O6S/c1-6(2)17-9(14)10-18(15,16)11(4)5-7(3)8(12)13/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKeyDVSNHTAQVNFYQT-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
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
Methyl 3-[(3-hydroxy-2-methylpropyl)sulfamoyl-methylamino]propanoate
CID 65685986
3-[Methyl-[3-(2-methylpropoxy)propylsulfamoyl]amino]propanoic acid
CID 105676139
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
propan-2-yl N-[3-hydroxybutyl(methyl)sulfamoyl]carbamate
CID 113588946
Methyl 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 113589119
3-[Cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462173
3-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
3-[Tert-butyl(ethoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462216
3-[Tert-butyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (CID 114462442) is 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is CC(C)OC(=O)NS(=O)(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The InChIKey is DVSNHTAQVNFYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-6(2)17-9(14)10-18(15,16)11(4)5-7(3)8(12)13/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13).
What are the key properties of 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid has a molecular weight of 282.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114462442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).