3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid

C11H23NO4S — CID 102903683

IUPAC3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
SMILESCC(C)C(CNS(=O)(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H23NO4S/c1-8(2)10(9(3)4)7-12-17(15,16)6-5-11(13)14/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyMHQMCUYYUJORDX-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.31
Rot. Bonds8

About 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid

3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid (PubChem CID 102903683) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
PubChem CID102903683
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
SMILESCC(C)C(CNS(=O)(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H23NO4S/c1-8(2)10(9(3)4)7-12-17(15,16)6-5-11(13)14/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyMHQMCUYYUJORDX-UHFFFAOYSA-N
XLogP1.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
3-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 63964847
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]sulfamoyl]propanoic acid
CID 61240639
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
CID 102915713
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid (CID 102903683) is 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid is CC(C)C(CNS(=O)(=O)CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid?
The InChIKey is MHQMCUYYUJORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-8(2)10(9(3)4)7-12-17(15,16)6-5-11(13)14/h8-10,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid?
3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 102903683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).