2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid

C9H16N2O5S — CID 54947165

IUPAC2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O5S/c1-6(9(13)14)17(15,16)11-4-2-7(3-5-11)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeySFWRXZBGYHIPQR-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.01
Rot. Bonds4

About 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid

2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 54947165) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
PubChem CID54947165
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O5S/c1-6(9(13)14)17(15,16)11-4-2-7(3-5-11)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeySFWRXZBGYHIPQR-UHFFFAOYSA-N
XLogP-1.01
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid (CID 54947165) is 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is SFWRXZBGYHIPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-6(9(13)14)17(15,16)11-4-2-7(3-5-11)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid?
2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 264.30 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 54947165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).