3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid

C6H12N2O6S — CID 114462277

IUPAC3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid
SMILESCOC(=O)NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H12N2O6S/c1-8(4-3-5(9)10)15(12,13)7-6(11)14-2/h3-4H2,1-2H3,(H,7,11)(H,9,10)
InChIKeyPHDPVPGUBFALDO-UHFFFAOYSA-N
MW240.24 g/mol
LogP-1.01
Rot. Bonds5

About 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid

3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid (PubChem CID 114462277) has the molecular formula C6H12N2O6S and a molecular weight of 240.24 g/mol. Its IUPAC name is 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid
PubChem CID114462277
Molecular FormulaC6H12N2O6S
Molecular Weight240.24 g/mol
Exact Mass240.04
IUPAC Name3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid
SMILESCOC(=O)NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H12N2O6S/c1-8(4-3-5(9)10)15(12,13)7-6(11)14-2/h3-4H2,1-2H3,(H,7,11)(H,9,10)
InChIKeyPHDPVPGUBFALDO-UHFFFAOYSA-N
XLogP-1.01
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[Diethyl(methoxycarbonylsulfamoyl)azaniumyl]propanoate
CID 172799211
3-[Dimethylsulfamoyl(methyl)amino]propanoic acid
CID 39242626
Methyl 3-[methyl(sulfamoyl)amino]propanoate
CID 61072146
Methyl 3-[methyl(methylsulfamoyl)amino]propanoate
CID 65683898
3-[Methyl(methylsulfamoyl)amino]propanoic acid
CID 65683899
3-[Ethylsulfamoyl(methyl)amino]propanoic acid
CID 65684092
3-[(3-Amino-3-oxopropyl)sulfamoyl-methylamino]propanoic acid
CID 65684331
3-[(2-Methoxy-2-oxoethyl)sulfamoyl-methylamino]propanoic acid
CID 65684875
3-[Cyanomethylsulfamoyl(methyl)amino]propanoic acid
CID 65684967
3-[Methyl(sulfamoyl)amino]propanoic acid
CID 65685069
3-[2-Aminoethylsulfamoyl(methyl)amino]propanoic acid
CID 65685167
3-[[(3-Methoxy-3-oxopropyl)-methylsulfamoyl]-methylamino]propanoic acid
CID 65685369

Frequently Asked Questions

What is the IUPAC name of 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid (CID 114462277) is 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid is COC(=O)NS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
The InChIKey is PHDPVPGUBFALDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O6S/c1-8(4-3-5(9)10)15(12,13)7-6(11)14-2/h3-4H2,1-2H3,(H,7,11)(H,9,10).
What are the key properties of 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid has a molecular weight of 240.24 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxycarbonylsulfamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 114462277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).