3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid

C9H19NO4S — CID 60952190

IUPAC3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid
SMILESCC(C)CCN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2)4-6-10(3)15(13,14)7-5-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVZRCKLVKYVVNMM-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.77
Rot. Bonds7

About 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid

3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid (PubChem CID 60952190) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid
PubChem CID60952190
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid
SMILESCC(C)CCN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2)4-6-10(3)15(13,14)7-5-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVZRCKLVKYVVNMM-UHFFFAOYSA-N
XLogP0.77
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
2-Methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068691
3-[3-Fluoropropylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 120397697
3-[4-Fluorobutylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 121617586
3-(1-piperidinyl)sulfonyl-2(R)-methylpropionic acid
CID 18738434
3-((dimethylamino)sulfonyl]-2(R)-methylpropionic acid
CID 18738436
3-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 21985269
2-Methyl-3-piperidin-1-ylsulfonylpropanoic acid
CID 21985274
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[(3-Methylbutyl)sulfamoyl]propanoic acid
CID 28514222

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid (CID 60952190) is 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid is CC(C)CCN(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid?
The InChIKey is VZRCKLVKYVVNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2)4-6-10(3)15(13,14)7-5-9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid?
3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60952190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).