[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate

C18H21NO6S — CID 9134794

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H21NO6S/c20-16(11-25-18(22)10-13-7-9-26(23,24)12-13)14-3-5-15(6-4-14)19-8-1-2-17(19)21/h3-6,13H,1-2,7-12H2/t13-/m0/s1
InChIKeySSKMVSWXSXDQDL-ZDUSSCGKSA-N
MW379.43 g/mol
LogP1.36
Rot. Bonds6

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate (PubChem CID 9134794) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
PubChem CID9134794
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H21NO6S/c20-16(11-25-18(22)10-13-7-9-26(23,24)12-13)14-3-5-15(6-4-14)19-8-1-2-17(19)21/h3-6,13H,1-2,7-12H2/t13-/m0/s1
InChIKeySSKMVSWXSXDQDL-ZDUSSCGKSA-N
XLogP1.36
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate with MolForge

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589722
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8935565
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128794
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 27339753
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate (CID 9134794) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate is O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
The InChIKey is SSKMVSWXSXDQDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO6S/c20-16(11-25-18(22)10-13-7-9-26(23,24)12-13)14-3-5-15(6-4-14)19-8-1-2-17(19)21/h3-6,13H,1-2,7-12H2/t13-/m0/s1.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate has a molecular weight of 379.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate is sourced from PubChem (CID 9134794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).