1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid

C11H19NO5S — CID 63124391

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C11H19NO5S/c1-11(10(14)15)2-4-12(5-3-11)8-6-18(16,17)7-9(8)13/h8-9,13H,2-7H2,1H3,(H,14,15)
InChIKeyOZMIXHXXOCPQTN-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.67
Rot. Bonds2

About 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid

1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124391) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124391
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C11H19NO5S/c1-11(10(14)15)2-4-12(5-3-11)8-6-18(16,17)7-9(8)13/h8-9,13H,2-7H2,1H3,(H,14,15)
InChIKeyOZMIXHXXOCPQTN-UHFFFAOYSA-N
XLogP-0.67
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid (CID 63124391) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)CC1.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is OZMIXHXXOCPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-11(10(14)15)2-4-12(5-3-11)8-6-18(16,17)7-9(8)13/h8-9,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).