4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid

C7H14N2O6S — CID 114462062

IUPAC4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
SMILESCOC(=O)NS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H14N2O6S/c1-9(5-3-4-6(10)11)16(13,14)8-7(12)15-2/h3-5H2,1-2H3,(H,8,12)(H,10,11)
InChIKeyWJRHRHKRDAUWLN-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.62
Rot. Bonds6

About 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid

4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid (PubChem CID 114462062) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
PubChem CID114462062
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
SMILESCOC(=O)NS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H14N2O6S/c1-9(5-3-4-6(10)11)16(13,14)8-7(12)15-2/h3-5H2,1-2H3,(H,8,12)(H,10,11)
InChIKeyWJRHRHKRDAUWLN-UHFFFAOYSA-N
XLogP-0.62
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
Methyl 4-[methyl(sulfamoyl)amino]butanoate
CID 60729454
4-(Ethoxycarbonylsulfamoylamino)butanoic acid
CID 114461881
4-(Methoxycarbonylsulfamoylamino)butanoic acid
CID 114461883
4-[Ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462057
4-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462060
4-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462146
4-[Methoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462150
3-[Methoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462277
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462753
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463064

Frequently Asked Questions

What is the IUPAC name of 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid (CID 114462062) is 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid is COC(=O)NS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
The InChIKey is WJRHRHKRDAUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-9(5-3-4-6(10)11)16(13,14)8-7(12)15-2/h3-5H2,1-2H3,(H,8,12)(H,10,11).
What are the key properties of 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid has a molecular weight of 254.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxycarbonylsulfamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 114462062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).