3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid

C8H14N2O6S — CID 114462174

IUPAC3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid
SMILESCOC(=O)NS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C8H14N2O6S/c1-16-8(13)9-17(14,15)10(6-2-3-6)5-4-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyZFYWJQLXZNHFPE-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.47
Rot. Bonds6

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

3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid (PubChem CID 114462174) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid
PubChem CID114462174
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid
SMILESCOC(=O)NS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C8H14N2O6S/c1-16-8(13)9-17(14,15)10(6-2-3-6)5-4-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyZFYWJQLXZNHFPE-UHFFFAOYSA-N
XLogP-0.47
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid (CID 114462174) is 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid is COC(=O)NS(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
The InChIKey is ZFYWJQLXZNHFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-16-8(13)9-17(14,15)10(6-2-3-6)5-4-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid has a molecular weight of 266.27 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114462174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).