phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

C21H21NO4 — CID 47004107

IUPACphenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H21NO4/c23-19(17-9-5-2-6-10-17)15-26-21(25)18-13-20(24)22(14-18)12-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyFYLDYGRVGPMAQD-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.50
Rot. Bonds7

About phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 47004107) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID47004107
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namephenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H21NO4/c23-19(17-9-5-2-6-10-17)15-26-21(25)18-13-20(24)22(14-18)12-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyFYLDYGRVGPMAQD-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898498
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898516
[2-(1H-indol-3-yl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898518
[2-(tert-butylamino)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898524
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898522
[2-(benzylcarbamoylamino)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898505
ethyl 2,5-dimethyl-4-[2-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]oxyacetyl]-1H-pyrrole-3-carboxylate
CID 40943702
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7488559
[2-(4-benzoyloxyphenyl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 9498360
[2-(4-acetylanilino)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898719
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7281674

Frequently Asked Questions

What is the IUPAC name of phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (CID 47004107) is phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is O=C(COC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is FYLDYGRVGPMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-19(17-9-5-2-6-10-17)15-26-21(25)18-13-20(24)22(14-18)12-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2.
What are the key properties of phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 47004107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).