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

C11H19NO5S — CID 63148373

IUPAC3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H19NO5S/c1-2-11(10(14)15)3-4-12(7-11)8-5-18(16,17)6-9(8)13/h8-9,13H,2-7H2,1H3,(H,14,15)
InChIKeyPHBZEXLUQOWRNC-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.67
Rot. Bonds3

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

3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63148373) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID63148373
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H19NO5S/c1-2-11(10(14)15)3-4-12(7-11)8-5-18(16,17)6-9(8)13/h8-9,13H,2-7H2,1H3,(H,14,15)
InChIKeyPHBZEXLUQOWRNC-UHFFFAOYSA-N
XLogP-0.67
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709457
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164230
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165203
1-(1,1-Dioxothiolan-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 55165972
Methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate
CID 60665884
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylic acid
CID 60886107
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid
CID 63032728
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124391
4-Ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylic acid
CID 63126197
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 63127105
1-(1,1-Dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148248
1-(1,1-Dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148897

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid (CID 63148373) is 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is PHBZEXLUQOWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-2-11(10(14)15)3-4-12(7-11)8-5-18(16,17)6-9(8)13/h8-9,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).