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

C11H24N2O4S — CID 87891187

IUPAC2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-8(2)6-13(7-9(3)4)18(16,17)12-10(5)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyPJMDZBKNLSFZCD-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.91
Rot. Bonds8

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

2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid (PubChem CID 87891187) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid
PubChem CID87891187
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-8(2)6-13(7-9(3)4)18(16,17)12-10(5)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyPJMDZBKNLSFZCD-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
The IUPAC name of 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid (CID 87891187) is 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid.
What is the SMILES notation for 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
The canonical SMILES for 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid is CC(C)CN(CC(C)C)S(=O)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
The InChIKey is PJMDZBKNLSFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-8(2)6-13(7-9(3)4)18(16,17)12-10(5)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid?
2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)sulfamoylamino]propanoic acid is sourced from PubChem (CID 87891187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).