3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid

C7H14N2O5S — CID 43310948

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-9(2)6(10)5-8-15(13,14)4-3-7(11)12/h8H,3-5H2,1-2H3,(H,11,12)
InChIKeyVGKFHFUSDXGLJO-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.53
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid (PubChem CID 43310948) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
PubChem CID43310948
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-9(2)6(10)5-8-15(13,14)4-3-7(11)12/h8H,3-5H2,1-2H3,(H,11,12)
InChIKeyVGKFHFUSDXGLJO-UHFFFAOYSA-N
XLogP-1.53
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54952641
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CID 83003807
3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
CID 62641953
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
CID 102903683
3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
3-(pent-3-ynylsulfamoyl)propanoic acid
CID 116642734
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine
CID 172740638
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid (CID 43310948) is 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid is CN(C)C(=O)CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The InChIKey is VGKFHFUSDXGLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-9(2)6(10)5-8-15(13,14)4-3-7(11)12/h8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43310948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).