2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid

C9H20N2O4S — CID 114814753

IUPAC2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid
SMILESCC(C)CNS(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-7(2)6-11-16(14,15)10-5-4-8(3)9(12)13/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyRJJCEFYLBMZJTB-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.18
Rot. Bonds8

About 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid

2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid (PubChem CID 114814753) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid
PubChem CID114814753
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid
SMILESCC(C)CNS(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-7(2)6-11-16(14,15)10-5-4-8(3)9(12)13/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyRJJCEFYLBMZJTB-UHFFFAOYSA-N
XLogP0.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid (CID 114814753) is 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid is CC(C)CNS(=O)(=O)NCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid?
The InChIKey is RJJCEFYLBMZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(2)6-11-16(14,15)10-5-4-8(3)9(12)13/h7-8,10-11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid?
2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114814753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).