(2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate

C18H22N2O5 — CID 146130135

IUPAC(2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(CN2CC(C(=O)OCC3CCNC3=O)CC2=O)cc1
InChIInChI=1S/C18H22N2O5/c1-24-15-4-2-12(3-5-15)9-20-10-14(8-16(20)21)18(23)25-11-13-6-7-19-17(13)22/h2-5,13-14H,6-11H2,1H3,(H,19,22)
InChIKeyIJEHQOBFUUFYEM-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.72
Rot. Bonds6

About (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate

(2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 146130135) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID146130135
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(CN2CC(C(=O)OCC3CCNC3=O)CC2=O)cc1
InChIInChI=1S/C18H22N2O5/c1-24-15-4-2-12(3-5-15)9-20-10-14(8-16(20)21)18(23)25-11-13-6-7-19-17(13)22/h2-5,13-14H,6-11H2,1H3,(H,19,22)
InChIKeyIJEHQOBFUUFYEM-UHFFFAOYSA-N
XLogP0.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7281674
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95619377
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119554715
methyl 5-oxo-1-[(4-propoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 154854179
methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 42881896
N-(3-amino-2,2-dimethylpropyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119657051
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119437706
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate (CID 146130135) is (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate is COc1ccc(CN2CC(C(=O)OCC3CCNC3=O)CC2=O)cc1.
What is the InChIKey of (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IJEHQOBFUUFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-24-15-4-2-12(3-5-15)9-20-10-14(8-16(20)21)18(23)25-11-13-6-7-19-17(13)22/h2-5,13-14H,6-11H2,1H3,(H,19,22).
What are the key properties of (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
(2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl)methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 146130135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).