[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate

C20H27NO4 — CID 16674211

IUPAC[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate
SMILESCOc1ccccc1[C@@H]1C[C@H](OC(=O)CCC2CCCC2)C(=O)N1C
InChIInChI=1S/C20H27NO4/c1-21-16(15-9-5-6-10-17(15)24-2)13-18(20(21)23)25-19(22)12-11-14-7-3-4-8-14/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyZPPJRAKALSAFAD-WMZOPIPTSA-N
MW345.44 g/mol
LogP3.48
Rot. Bonds6

About [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate

[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate (PubChem CID 16674211) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate
PubChem CID16674211
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate
SMILESCOc1ccccc1[C@@H]1C[C@H](OC(=O)CCC2CCCC2)C(=O)N1C
InChIInChI=1S/C20H27NO4/c1-21-16(15-9-5-6-10-17(15)24-2)13-18(20(21)23)25-19(22)12-11-14-7-3-4-8-14/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyZPPJRAKALSAFAD-WMZOPIPTSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate?
The IUPAC name of [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate (CID 16674211) is [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate.
What is the SMILES notation for [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate?
The canonical SMILES for [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate is COc1ccccc1[C@@H]1C[C@H](OC(=O)CCC2CCCC2)C(=O)N1C.
What is the InChIKey of [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate?
The InChIKey is ZPPJRAKALSAFAD-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H27NO4/c1-21-16(15-9-5-6-10-17(15)24-2)13-18(20(21)23)25-19(22)12-11-14-7-3-4-8-14/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate?
[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate has a molecular weight of 345.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-cyclopentylpropanoate is sourced from PubChem (CID 16674211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).