2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid

C7H17N3O4S — CID 89124333

IUPAC2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid
SMILESCN(C)CCNS(=O)(=O)CC(N)C(=O)O
InChIInChI=1S/C7H17N3O4S/c1-10(2)4-3-9-15(13,14)5-6(8)7(11)12/h6,9H,3-5,8H2,1-2H3,(H,11,12)
InChIKeyZUONPICTGFAXMS-UHFFFAOYSA-N
MW239.30 g/mol
LogP-2.12
Rot. Bonds7

About 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid

2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid (PubChem CID 89124333) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid
PubChem CID89124333
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid
SMILESCN(C)CCNS(=O)(=O)CC(N)C(=O)O
InChIInChI=1S/C7H17N3O4S/c1-10(2)4-3-9-15(13,14)5-6(8)7(11)12/h6,9H,3-5,8H2,1-2H3,(H,11,12)
InChIKeyZUONPICTGFAXMS-UHFFFAOYSA-N
XLogP-2.12
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid (CID 89124333) is 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid is CN(C)CCNS(=O)(=O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
The InChIKey is ZUONPICTGFAXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-10(2)4-3-9-15(13,14)5-6(8)7(11)12/h6,9H,3-5,8H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid has a molecular weight of 239.30 g/mol, XLogP of -2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 89124333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).