methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate

C11H19NO5S — CID 137380077

IUPACmethyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)C1CCN(C(C)C)C1=O
InChIInChI=1S/C11H19NO5S/c1-8(2)12-6-4-9(11(12)14)18(15,16)7-5-10(13)17-3/h8-9H,4-7H2,1-3H3
InChIKeyVBRVTUUEOMXDQZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.03
Rot. Bonds5

About methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate

methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate (PubChem CID 137380077) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate
PubChem CID137380077
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Namemethyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)C1CCN(C(C)C)C1=O
InChIInChI=1S/C11H19NO5S/c1-8(2)12-6-4-9(11(12)14)18(15,16)7-5-10(13)17-3/h8-9H,4-7H2,1-3H3
InChIKeyVBRVTUUEOMXDQZ-UHFFFAOYSA-N
XLogP-0.03
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate 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 methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate?
The IUPAC name of methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate (CID 137380077) is methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate.
What is the SMILES notation for methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate?
The canonical SMILES for methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate is COC(=O)CCS(=O)(=O)C1CCN(C(C)C)C1=O.
What is the InChIKey of methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate?
The InChIKey is VBRVTUUEOMXDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-8(2)12-6-4-9(11(12)14)18(15,16)7-5-10(13)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate?
methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate has a molecular weight of 277.34 g/mol, XLogP of -0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfonylpropanoate is sourced from PubChem (CID 137380077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).