ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate

C20H19NO4 — CID 14868336

IUPACethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
SMILESCCO[13C](=O)[C@@]1(C)C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO4/c1-3-25-19(24)20(2)16(14-10-6-4-7-11-14)21(18(23)17(20)22)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3/t16-,20-/m1/s1/i19+1
InChIKeyMMXQYAFKZXRKPF-BUJKVLAISA-N
MW338.37 g/mol
LogP2.91
Rot. Bonds4

About ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate

ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate (PubChem CID 14868336) has the molecular formula C20H19NO4 and a molecular weight of 338.37 g/mol. Its IUPAC name is ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
PubChem CID14868336
Molecular FormulaC20H19NO4
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Nameethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
SMILESCCO[13C](=O)[C@@]1(C)C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO4/c1-3-25-19(24)20(2)16(14-10-6-4-7-11-14)21(18(23)17(20)22)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3/t16-,20-/m1/s1/i19+1
InChIKeyMMXQYAFKZXRKPF-BUJKVLAISA-N
XLogP2.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868335
ethyl 3-benzhydryl-2-(4-bromophenyl)-1-(4-methylphenyl)-4,5-dioxopyrrolidine-3-carboxylate
CID 11734575
tetraethyl 3,6,9,12-tetraphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5,7,11-tetracarboxylate
CID 73212303
ethyl (1R,2S,6R,7S)-1,7,8,9,10-pentamethyl-3,5-dioxo-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-10-carboxylate
CID 15202325
methyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 57225843
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 98459518
ethyl 3-methyl-1-phenylazetidine-3-carboxylate
CID 134994378
(2S,3R)-3-benzhydryl-1-(4-methylphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylic acid
CID 27046989

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate (CID 14868336) is ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate is CCO[13C](=O)[C@@]1(C)C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate?
The InChIKey is MMXQYAFKZXRKPF-BUJKVLAISA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-25-19(24)20(2)16(14-10-6-4-7-11-14)21(18(23)17(20)22)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3/t16-,20-/m1/s1/i19+1.
What are the key properties of ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate?
ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 14868336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).