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

C9H19N3O6S — CID 113405032

IUPAC3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
SMILESCOCCNC(=O)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H19N3O6S/c1-12(5-3-9(14)15)19(16,17)11-7-8(13)10-4-6-18-2/h11H,3-7H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyHPSJINPKVWZQCO-UHFFFAOYSA-N
MW297.33 g/mol
LogP-2.01
Rot. Bonds10

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

3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid (PubChem CID 113405032) has the molecular formula C9H19N3O6S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
PubChem CID113405032
Molecular FormulaC9H19N3O6S
Molecular Weight297.33 g/mol
Exact Mass297.10
IUPAC Name3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
SMILESCOCCNC(=O)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H19N3O6S/c1-12(5-3-9(14)15)19(16,17)11-7-8(13)10-4-6-18-2/h11H,3-7H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyHPSJINPKVWZQCO-UHFFFAOYSA-N
XLogP-2.01
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182564
3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide
CID 54952091
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327156
3-[methyl-[2-(methylsulfamoyl)ethylsulfamoyl]amino]propanoic acid
CID 114174999
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid (CID 113405032) is 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid is COCCNC(=O)CNS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid?
The InChIKey is HPSJINPKVWZQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O6S/c1-12(5-3-9(14)15)19(16,17)11-7-8(13)10-4-6-18-2/h11H,3-7H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid?
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid has a molecular weight of 297.33 g/mol, XLogP of -2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 113405032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).