methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate

C20H21NO3 — CID 15541932

IUPACmethyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)C[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C20H21NO3/c1-24-19(23)20(13-16-10-6-3-7-11-16)14-17(18(22)21-20)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,22)/t17-,20+/m1/s1
InChIKeyMSYBOUSZQSEYMT-XLIONFOSSA-N
MW323.39 g/mol
LogP2.52
Rot. Bonds5

About methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate

methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 15541932) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
PubChem CID15541932
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)C[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C20H21NO3/c1-24-19(23)20(13-16-10-6-3-7-11-16)14-17(18(22)21-20)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,22)/t17-,20+/m1/s1
InChIKeyMSYBOUSZQSEYMT-XLIONFOSSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S,4E)-2-benzyl-4-(cyclohexylmethylidene)-5-oxopyrrolidine-2-carboxylate
CID 134945023
methyl (2S)-4-benzyl-5-oxopyrrolidine-2-carboxylate
CID 67460134
methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
CID 71119843
dimethyl 2-benzylpiperidine-4,4-dicarboxylate
CID 162768511
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
CID 10536224
4-O-[(2S)-1-methoxy-1-oxopropan-2-yl] 2-O-methyl (2S,4R,5S)-2-benzyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 101412379
methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 69106450
(2S,4R)-2-benzyl-4-hydroxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 67034148
cis-methyl (1R,2R)-1-amino-2-benzylcyclobutane-1-carboxylate
CID 129418563
dimethyl (2R,4R)-4-benzyl-1-methyl-2-phenylpyrrolidine-3,3-dicarboxylate
CID 101363936
methyl (3R)-3-benzyl-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 135006357

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate (CID 15541932) is methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@]1(Cc2ccccc2)C[C@@H](Cc2ccccc2)C(=O)N1.
What is the InChIKey of methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is MSYBOUSZQSEYMT-XLIONFOSSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-19(23)20(13-16-10-6-3-7-11-16)14-17(18(22)21-20)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,22)/t17-,20+/m1/s1.
What are the key properties of methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate?
methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 15541932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).