benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate

C25H23NO3 — CID 66739288

IUPACbenzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
SMILESO=C1CCC(Cc2ccc(-c3ccccc3)cc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H23NO3/c27-24-16-15-23(26(24)25(28)29-18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23H,15-18H2
InChIKeyMPEZOWGDXDLNLR-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.22
Rot. Bonds5

About benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate

benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 66739288) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID66739288
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Namebenzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
SMILESO=C1CCC(Cc2ccc(-c3ccccc3)cc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H23NO3/c27-24-16-15-23(26(24)25(28)29-18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23H,15-18H2
InChIKeyMPEZOWGDXDLNLR-UHFFFAOYSA-N
XLogP5.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;ethane
CID 145264211
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318478
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
tert-butyl (5R)-3-(dimethylaminomethylidene)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 159165454
(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one
CID 134941364
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
benzyl (2S)-2-(3-diazo-2-oxopropanoyl)-5-oxopyrrolidine-1-carboxylate
CID 54304369
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078

Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate (CID 66739288) is benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate is O=C1CCC(Cc2ccc(-c3ccccc3)cc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is MPEZOWGDXDLNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-24-16-15-23(26(24)25(28)29-18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23H,15-18H2.
What are the key properties of benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).