methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate

C28H30N2O3 — CID 54263266

IUPACmethyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCN2CC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O3/c1-33-26(31)22-14-12-21(13-15-22)16-18-30-19-17-25(20-30)28(27(29)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H2,29,32)/t25-/m0/s1
InChIKeyREZKUJDJZZWWFV-VWLOTQADSA-N
MW442.56 g/mol
LogP3.81
Rot. Bonds8

About methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate

methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate (PubChem CID 54263266) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
PubChem CID54263266
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Namemethyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCN2CC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O3/c1-33-26(31)22-14-12-21(13-15-22)16-18-30-19-17-25(20-30)28(27(29)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H2,29,32)/t25-/m0/s1
InChIKeyREZKUJDJZZWWFV-VWLOTQADSA-N
XLogP3.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate with MolForge

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Related Compounds

2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654453
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449
2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
CID 11454189
2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 19007315
2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11466741
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66858006
7-[4-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]phenoxy]heptanoic acid
CID 20625236
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 19746811
2-[1-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 20625001

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate (CID 54263266) is methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate is COC(=O)c1ccc(CCN2CC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate?
The InChIKey is REZKUJDJZZWWFV-VWLOTQADSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-26(31)22-14-12-21(13-15-22)16-18-30-19-17-25(20-30)28(27(29)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H2,29,32)/t25-/m0/s1.
What are the key properties of methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate?
methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate has a molecular weight of 442.56 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate is sourced from PubChem (CID 54263266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).