2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid

C8H11N3O5S — CID 54947750

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C8H11N3O5S/c1-4(7(12)13)17(14,15)11-8-10-9-6(16-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyDODVDPLYLJUMOP-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.16
Rot. Bonds5

About 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid (PubChem CID 54947750) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid
PubChem CID54947750
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C8H11N3O5S/c1-4(7(12)13)17(14,15)11-8-10-9-6(16-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyDODVDPLYLJUMOP-UHFFFAOYSA-N
XLogP0.16
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid (CID 54947750) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid?
The InChIKey is DODVDPLYLJUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c1-4(7(12)13)17(14,15)11-8-10-9-6(16-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid has a molecular weight of 261.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).