2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid

C11H19NO6S — CID 55105669

IUPAC2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C11H19NO6S/c1-8(11(15)18-2)19(16,17)12-5-3-4-9(7-12)6-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyNZMIUOZWHLYCTO-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.06
Rot. Bonds5

About 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid

2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid (PubChem CID 55105669) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid
PubChem CID55105669
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C11H19NO6S/c1-8(11(15)18-2)19(16,17)12-5-3-4-9(7-12)6-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyNZMIUOZWHLYCTO-UHFFFAOYSA-N
XLogP0.06
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid (CID 55105669) is 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid is COC(=O)C(C)S(=O)(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid?
The InChIKey is NZMIUOZWHLYCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-8(11(15)18-2)19(16,17)12-5-3-4-9(7-12)6-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid?
2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 55105669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).