methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate

C13H15NO4 — CID 171118065

IUPACmethyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)CC1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO4/c1-17-9-5-3-8(4-6-9)10-7-11(15)14-12(10)13(16)18-2/h3-6,10,12H,7H2,1-2H3,(H,14,15)
InChIKeyGLLGVOQHDDOXHI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.84
Rot. Bonds3

About methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate

methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 171118065) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID171118065
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)CC1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO4/c1-17-9-5-3-8(4-6-9)10-7-11(15)14-12(10)13(16)18-2/h3-6,10,12H,7H2,1-2H3,(H,14,15)
InChIKeyGLLGVOQHDDOXHI-UHFFFAOYSA-N
XLogP0.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate (CID 171118065) is methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate is COC(=O)C1NC(=O)CC1c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is GLLGVOQHDDOXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-9-5-3-8(4-6-9)10-7-11(15)14-12(10)13(16)18-2/h3-6,10,12H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 171118065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).