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

C6H12N2O5S — CID 43310532

IUPAC3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid
SMILESCNC(=O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-7-5(9)4-8-14(12,13)3-2-6(10)11/h8H,2-4H2,1H3,(H,7,9)(H,10,11)
InChIKeyJPUSQBFMLCUFQL-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.87
Rot. Bonds6

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

3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid (PubChem CID 43310532) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid
PubChem CID43310532
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid
SMILESCNC(=O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-7-5(9)4-8-14(12,13)3-2-6(10)11/h8H,2-4H2,1H3,(H,7,9)(H,10,11)
InChIKeyJPUSQBFMLCUFQL-UHFFFAOYSA-N
XLogP-1.87
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid (CID 43310532) is 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid is CNC(=O)CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The InChIKey is JPUSQBFMLCUFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-7-5(9)4-8-14(12,13)3-2-6(10)11/h8H,2-4H2,1H3,(H,7,9)(H,10,11).
What are the key properties of 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid has a molecular weight of 224.24 g/mol, XLogP of -1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43310532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).