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

C10H17NO5S — CID 55164230

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C10H17NO5S/c1-10(9(13)14)2-3-11(6-10)7-4-17(15,16)5-8(7)12/h7-8,12H,2-6H2,1H3,(H,13,14)
InChIKeyIMHJCMXDQJDXSR-UHFFFAOYSA-N
MW263.31 g/mol
LogP-1.06
Rot. Bonds2

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

1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 55164230) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID55164230
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C10H17NO5S/c1-10(9(13)14)2-3-11(6-10)7-4-17(15,16)5-8(7)12/h7-8,12H,2-6H2,1H3,(H,13,14)
InChIKeyIMHJCMXDQJDXSR-UHFFFAOYSA-N
XLogP-1.06
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid (CID 55164230) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IMHJCMXDQJDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(9(13)14)2-3-11(6-10)7-4-17(15,16)5-8(7)12/h7-8,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -1.06, 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)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55164230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).