3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid

C11H19N3O5S — CID 60952185

IUPAC3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C11H19N3O5S/c15-10(16)3-8-20(18,19)13-5-1-9(2-6-13)14-7-4-12-11(14)17/h9H,1-8H2,(H,12,17)(H,15,16)
InChIKeyOSJHYHWKPHGWGJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.72
Rot. Bonds5

About 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid

3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid (PubChem CID 60952185) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid
PubChem CID60952185
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C11H19N3O5S/c15-10(16)3-8-20(18,19)13-5-1-9(2-6-13)14-7-4-12-11(14)17/h9H,1-8H2,(H,12,17)(H,15,16)
InChIKeyOSJHYHWKPHGWGJ-UHFFFAOYSA-N
XLogP-0.72
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid (CID 60952185) is 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is OSJHYHWKPHGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c15-10(16)3-8-20(18,19)13-5-1-9(2-6-13)14-7-4-12-11(14)17/h9H,1-8H2,(H,12,17)(H,15,16).
What are the key properties of 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid?
3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 305.36 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 60952185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).