[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C20H25NO6 — CID 8506444

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C20H25NO6/c1-25-15-7-8-18(26-2)16(10-15)17(22)12-27-20(24)13-9-19(23)21(11-13)14-5-3-4-6-14/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyLMPGQERTSAKNCJ-CYBMUJFWSA-N
MW375.42 g/mol
LogP2.22
Rot. Bonds7

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 8506444) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID8506444
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C20H25NO6/c1-25-15-7-8-18(26-2)16(10-15)17(22)12-27-20(24)13-9-19(23)21(11-13)14-5-3-4-6-14/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyLMPGQERTSAKNCJ-CYBMUJFWSA-N
XLogP2.22
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11927469
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871301
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8504873
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7488559
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 2111279
[2-(2,5-dimethylphenyl)-2-oxoethyl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634385
[2-(2,4-dimethylphenyl)-2-oxoethyl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634469
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7725346
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
[2-(4-bromophenyl)-2-oxoethyl] 1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 3736756
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7725335
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 8506444) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is COc1ccc(OC)c(C(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LMPGQERTSAKNCJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25NO6/c1-25-15-7-8-18(26-2)16(10-15)17(22)12-27-20(24)13-9-19(23)21(11-13)14-5-3-4-6-14/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 8506444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).