4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid

C10H20N2O6S — CID 114462146

IUPAC4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H20N2O6S/c1-4-18-10(15)11-19(16,17)12(8(2)3)7-5-6-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyCMDMSGIGCXSVDW-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.55
Rot. Bonds8

About 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid

4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid (PubChem CID 114462146) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
PubChem CID114462146
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H20N2O6S/c1-4-18-10(15)11-19(16,17)12(8(2)3)7-5-6-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyCMDMSGIGCXSVDW-UHFFFAOYSA-N
XLogP0.55
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 54947353
4-[Diethylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827636
4-[Dimethylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827956
4-[Dipropylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827958
4-[[Butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 60828129
3-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 113588589
3-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 113588646
Methyl 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoate
CID 113589126
4-[Ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462057
4-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462060
4-[Methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462062
4-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462148

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid (CID 114462146) is 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid is CCOC(=O)NS(=O)(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is CMDMSGIGCXSVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-4-18-10(15)11-19(16,17)12(8(2)3)7-5-6-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid?
4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 296.35 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 114462146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).