3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid

C11H24N2O4S — CID 87891188

IUPAC3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-9(2)7-13(8-10(3)4)18(16,17)12-6-5-11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyDCPQXGJYHQAFAR-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.91
Rot. Bonds9

About 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid

3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid (PubChem CID 87891188) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid
PubChem CID87891188
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-9(2)7-13(8-10(3)4)18(16,17)12-6-5-11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyDCPQXGJYHQAFAR-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid
CID 114805975
2-Methyl-3-(2-methylpropylamino)propanoic acid
CID 43538356
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-(2-Carboxypropylamino)-2-methylpropanoic acid
CID 13451328
3-[2-Aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid
CID 21426937
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
2-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891187
2-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891320
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
2-Methyl-3-(2-methylpropylamino)-2-(sulfonylamino)propanoic acid
CID 88340011
Ethane;3-(ethylamino)-2-methylpropanoic acid
CID 142901124

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
The IUPAC name of 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid (CID 87891188) is 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid is CC(C)CN(CC(C)C)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
The InChIKey is DCPQXGJYHQAFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(2)7-13(8-10(3)4)18(16,17)12-6-5-11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)sulfamoylamino]propanoic acid is sourced from PubChem (CID 87891188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).