methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate

C20H21NO3 — CID 15314820

IUPACmethyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@]1(C)CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(19(23)24-2)13-17(22)21(14-15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3/t18-,20-/m1/s1
InChIKeyOMYUOTMBDHHUBB-UYAOXDASSA-N
MW323.39 g/mol
LogP3.34
Rot. Bonds4

About methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate

methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate (PubChem CID 15314820) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
PubChem CID15314820
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@]1(C)CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(19(23)24-2)13-17(22)21(14-15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3/t18-,20-/m1/s1
InChIKeyOMYUOTMBDHHUBB-UYAOXDASSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
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CID 134349532
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
dimethyl (2R,4R)-4-benzyl-1-methyl-2-phenylpyrrolidine-3,3-dicarboxylate
CID 101363936
methyl (2R,3R)-1-benzyl-3-butylsulfanyl-2-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 56958530
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
dimethyl (5R,7S,7aR)-1-benzyl-7-methyl-3,5,6,7a-tetrahydro-2H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 10892932
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
methyl (4aS,7aR,10aR)-8-benzyl-7,9-dioxo-1,3,4,4a,7a,10-hexahydropyrrolo[2,3-i]isoquinoline-2-carboxylate
CID 10871929
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
methyl (2S,3R,4R)-3-(benzenesulfonyl)-4-benzyl-1-methyl-2-phenylpyrrolidine-3-carboxylate
CID 101363941

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate (CID 15314820) is methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate is COC(=O)[C@]1(C)CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The InChIKey is OMYUOTMBDHHUBB-UYAOXDASSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(19(23)24-2)13-17(22)21(14-15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 15314820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).