3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid

C9H20N2O6S — CID 114243042

IUPAC3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid
SMILESCN(CCOCCO)S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H20N2O6S/c1-10(4-3-9(13)14)18(15,16)11(2)5-7-17-8-6-12/h12H,3-8H2,1-2H3,(H,13,14)
InChIKeyPKUTZUOJRWZIBC-UHFFFAOYSA-N
MW284.33 g/mol
LogP-1.42
Rot. Bonds10

About 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid

3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid (PubChem CID 114243042) has the molecular formula C9H20N2O6S and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid
PubChem CID114243042
Molecular FormulaC9H20N2O6S
Molecular Weight284.33 g/mol
Exact Mass284.10
IUPAC Name3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid
SMILESCN(CCOCCO)S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H20N2O6S/c1-10(4-3-9(13)14)18(15,16)11(2)5-7-17-8-6-12/h12H,3-8H2,1-2H3,(H,13,14)
InChIKeyPKUTZUOJRWZIBC-UHFFFAOYSA-N
XLogP-1.42
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
CID 172913435
CID 172913435
methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
CID 62010681
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
dodecanoic acid;2-(2-hydroxyethoxy)ethanol;sulfuric acid
CID 88843146
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
CID 131887709
CID 131887709
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid (CID 114243042) is 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid is CN(CCOCCO)S(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid?
The InChIKey is PKUTZUOJRWZIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O6S/c1-10(4-3-9(13)14)18(15,16)11(2)5-7-17-8-6-12/h12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid?
3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid has a molecular weight of 284.33 g/mol, XLogP of -1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 114243042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).