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

C19H19NO3 — CID 139039173

IUPACmethyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-23-19(22)16-12-17(21)20(13-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18-/m0/s1
InChIKeyVIVJJEVKDNBJHY-WMZOPIPTSA-N
MW309.37 g/mol
LogP2.95
Rot. Bonds4

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

methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate (PubChem CID 139039173) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
PubChem CID139039173
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-23-19(22)16-12-17(21)20(13-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18-/m0/s1
InChIKeyVIVJJEVKDNBJHY-WMZOPIPTSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate (CID 139039173) is methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate is COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The InChIKey is VIVJJEVKDNBJHY-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-19(22)16-12-17(21)20(13-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 139039173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).