3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid

C8H16N2O6S — CID 114462291

IUPAC3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC)CCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-10(6-5-7(11)12)17(14,15)9-8(13)16-4-2/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyXTLNEIIECNBMRU-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.23
Rot. Bonds7

About 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid

3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid (PubChem CID 114462291) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid
PubChem CID114462291
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC)CCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-10(6-5-7(11)12)17(14,15)9-8(13)16-4-2/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyXTLNEIIECNBMRU-UHFFFAOYSA-N
XLogP-0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[Diethyl(methoxycarbonylsulfamoyl)azaniumyl]propanoate
CID 172799211
3-[3-Ethoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 65683908
Methyl 3-[3-hydroxypropylsulfamoyl(methyl)amino]propanoate
CID 65684327
3-[[(3-Ethoxy-3-oxopropyl)-methylsulfamoyl]-methylamino]propanoic acid
CID 65685180
3-[[(3-Methoxy-3-oxopropyl)-methylsulfamoyl]-methylamino]propanoic acid
CID 65685369
3-[[3-Methoxypropyl(methyl)sulfamoyl]-methylamino]propanoic acid
CID 65685386
3-[(3-Ethoxy-3-oxopropyl)sulfamoyl-methylamino]propanoic acid
CID 65685762
3-[3-Methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 65686258
3-[(3-Methoxy-3-oxopropyl)sulfamoyl-methylamino]propanoic acid
CID 65686678
3-[Methyl(3-propoxypropylsulfamoyl)amino]propanoic acid
CID 82942955
3-[2-Carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid
CID 83201898
3-[4-(Methoxycarbonylsulfamoyl)piperazin-1-yl]propanoic acid
CID 113588581

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid (CID 114462291) is 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid is CCOC(=O)NS(=O)(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid?
The InChIKey is XTLNEIIECNBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-3-10(6-5-7(11)12)17(14,15)9-8(13)16-4-2/h3-6H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid?
3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 114462291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).