3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid

C13H28N2O4S — CID 60950529

IUPAC3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
SMILESCCN(CC)CCN(CC(C)C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C13H28N2O4S/c1-5-14(6-2)8-9-15(11-12(3)4)20(18,19)10-7-13(16)17/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyBMXLLDDHIROFEH-UHFFFAOYSA-N
MW308.44 g/mol
LogP1.09
Rot. Bonds11

About 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid

3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid (PubChem CID 60950529) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
PubChem CID60950529
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC Name3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
SMILESCCN(CC)CCN(CC(C)C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C13H28N2O4S/c1-5-14(6-2)8-9-15(11-12(3)4)20(18,19)10-7-13(16)17/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyBMXLLDDHIROFEH-UHFFFAOYSA-N
XLogP1.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
CID 60950576
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-[butylsulfonyl(2-carboxyethyl)amino]-2-methylpropanoic acid
CID 82326473
2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
CID 106727514
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid (CID 60950529) is 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid is CCN(CC)CCN(CC(C)C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid?
The InChIKey is BMXLLDDHIROFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-5-14(6-2)8-9-15(11-12(3)4)20(18,19)10-7-13(16)17/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid?
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid has a molecular weight of 308.44 g/mol, XLogP of 1.09, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60950529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).