methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate

C15H19NO4 — CID 168693497

IUPACmethyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2ccccc2OC)C1
InChIInChI=1S/C15H19NO4/c1-19-13-6-4-3-5-11(13)7-8-16-10-12(9-14(16)17)15(18)20-2/h3-6,12H,7-10H2,1-2H3
InChIKeyXEHGWRGTWLWLBD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds5

About methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693497) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID168693497
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2ccccc2OC)C1
InChIInChI=1S/C15H19NO4/c1-19-13-6-4-3-5-11(13)7-8-16-10-12(9-14(16)17)15(18)20-2/h3-6,12H,7-10H2,1-2H3
InChIKeyXEHGWRGTWLWLBD-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
N-(4-acetylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184463
N-(4-tert-butylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184440
N-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113184432
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113184435
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113184480
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 110204117
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 91822785
N-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184474
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate (CID 168693497) is methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCc2ccccc2OC)C1.
What is the InChIKey of methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XEHGWRGTWLWLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-6-4-3-5-11(13)7-8-16-10-12(9-14(16)17)15(18)20-2/h3-6,12H,7-10H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).