4-(dipropylsulfamoylamino)-2-methylbutanoic acid

C11H24N2O4S — CID 80540285

IUPAC4-(dipropylsulfamoylamino)-2-methylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-4-8-13(9-5-2)18(16,17)12-7-6-10(3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyUJUSWOWPJORSPB-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.05
Rot. Bonds10

About 4-(dipropylsulfamoylamino)-2-methylbutanoic acid

4-(dipropylsulfamoylamino)-2-methylbutanoic acid (PubChem CID 80540285) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(dipropylsulfamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(dipropylsulfamoylamino)-2-methylbutanoic acid
PubChem CID80540285
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name4-(dipropylsulfamoylamino)-2-methylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-4-8-13(9-5-2)18(16,17)12-7-6-10(3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyUJUSWOWPJORSPB-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Di(2-acetoxy-n-propyl)amine
CID 57979
4-[(3-Methylbutyl)amino]butanoic acid
CID 33788332
4-Amino-2-methylbutanoic acid;2-methyl-3-(methylamino)propanoic acid
CID 88371409
1-(Methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114805995
3-Methyl-4-(propylamino)butanoic acid
CID 117568539
3-Methyl-4-(3-methylbutylamino)butanoic acid
CID 117568563
4-(Butylamino)-2-methylbutanoic acid
CID 117568738
4-(3-Carboxybutylamino)-2-methylbutanoic acid
CID 137491777
4-(Ethylamino)-3-(ethylaminomethyl)butanoic acid
CID 140068274
(2S)-4-(4-aminobutylamino)-2-methylbutanoic acid
CID 142492726
2-Amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
CID 174658777
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(dipropylsulfamoylamino)-2-methylbutanoic acid (CID 80540285) is 4-(dipropylsulfamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(dipropylsulfamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(dipropylsulfamoylamino)-2-methylbutanoic acid is CCCN(CCC)S(=O)(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-(dipropylsulfamoylamino)-2-methylbutanoic acid?
The InChIKey is UJUSWOWPJORSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-8-13(9-5-2)18(16,17)12-7-6-10(3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-(dipropylsulfamoylamino)-2-methylbutanoic acid?
4-(dipropylsulfamoylamino)-2-methylbutanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80540285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).