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

C11H20N2O5S — CID 61457983

IUPAC2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C11H20N2O5S/c1-8(11(15)16)19(17,18)13-6-4-9(5-7-13)10(14)12(2)3/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyVTIMEHYKQBKSRZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.41
Rot. Bonds4

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

2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid (PubChem CID 61457983) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
PubChem CID61457983
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C11H20N2O5S/c1-8(11(15)16)19(17,18)13-6-4-9(5-7-13)10(14)12(2)3/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyVTIMEHYKQBKSRZ-UHFFFAOYSA-N
XLogP-0.41
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid (CID 61457983) is 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is VTIMEHYKQBKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-8(11(15)16)19(17,18)13-6-4-9(5-7-13)10(14)12(2)3/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 61457983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).