methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate

C13H15NO3 — CID 688040

IUPACmethyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m1/s1
InChIKeyWTRWSSDZHQOPJI-LLVKDONJSA-N
MW233.27 g/mol
LogP1.21
Rot. Bonds3

About methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate

methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 688040) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID688040
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m1/s1
InChIKeyWTRWSSDZHQOPJI-LLVKDONJSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 688040) is methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WTRWSSDZHQOPJI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m1/s1.
What are the key properties of methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 688040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).