2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid

C10H23N3O4S — CID 89124169

IUPAC2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid
SMILESCN(C)CCCN(C)S(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H23N3O4S/c1-12(2)6-4-7-13(3)18(16,17)8-5-9(11)10(14)15/h9H,4-8,11H2,1-3H3,(H,14,15)
InChIKeyCWHJQLGRWXTRRI-UHFFFAOYSA-N
MW281.38 g/mol
LogP-1.00
Rot. Bonds9

About 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid

2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid (PubChem CID 89124169) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid
PubChem CID89124169
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC Name2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid
SMILESCN(C)CCCN(C)S(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H23N3O4S/c1-12(2)6-4-7-13(3)18(16,17)8-5-9(11)10(14)15/h9H,4-8,11H2,1-3H3,(H,14,15)
InChIKeyCWHJQLGRWXTRRI-UHFFFAOYSA-N
XLogP-1.00
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid?
The IUPAC name of 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid (CID 89124169) is 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid?
The canonical SMILES for 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid is CN(C)CCCN(C)S(=O)(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid?
The InChIKey is CWHJQLGRWXTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S/c1-12(2)6-4-7-13(3)18(16,17)8-5-9(11)10(14)15/h9H,4-8,11H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid?
2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid has a molecular weight of 281.38 g/mol, XLogP of -1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 89124169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).