3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid

C11H24N2O4S — CID 82326345

IUPAC3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
SMILESCCN(CC)CCCN(CCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-12(5-2)8-6-9-13(18(3,16)17)10-7-11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyRGGKVNLCEMNXGQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.45
Rot. Bonds10

About 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid

3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid (PubChem CID 82326345) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
PubChem CID82326345
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
SMILESCCN(CC)CCCN(CCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-12(5-2)8-6-9-13(18(3,16)17)10-7-11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyRGGKVNLCEMNXGQ-UHFFFAOYSA-N
XLogP0.45
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
3-[bis(methylsulfonyl)amino]propanoic acid
CID 87416675
bis(2-(diethylamino)ethanol);hexanedioic acid
CID 22571154
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
CID 82323531

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid?
The IUPAC name of 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid (CID 82326345) is 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid.
What is the SMILES notation for 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid?
The canonical SMILES for 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid is CCN(CC)CCCN(CCC(=O)O)S(C)(=O)=O.
What is the InChIKey of 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid?
The InChIKey is RGGKVNLCEMNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-12(5-2)8-6-9-13(18(3,16)17)10-7-11(14)15/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid?
3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid is sourced from PubChem (CID 82326345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).