ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate

C19H19NO3 — CID 141265276

IUPACethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc([C@@H]2C(=O)NCC2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-2-23-19(22)15-10-8-14(9-11-15)17-16(12-20-18(17)21)13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3,(H,20,21)/t16?,17-/m0/s1
InChIKeyBAWLIZNBIVJXGF-DJNXLDHESA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds4

About ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate

ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate (PubChem CID 141265276) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate
PubChem CID141265276
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc([C@@H]2C(=O)NCC2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-2-23-19(22)15-10-8-14(9-11-15)17-16(12-20-18(17)21)13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3,(H,20,21)/t16?,17-/m0/s1
InChIKeyBAWLIZNBIVJXGF-DJNXLDHESA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate?
The IUPAC name of ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate (CID 141265276) is ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate.
What is the SMILES notation for ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate?
The canonical SMILES for ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate is CCOC(=O)c1ccc([C@@H]2C(=O)NCC2c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate?
The InChIKey is BAWLIZNBIVJXGF-DJNXLDHESA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-23-19(22)15-10-8-14(9-11-15)17-16(12-20-18(17)21)13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3,(H,20,21)/t16?,17-/m0/s1.
What are the key properties of ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate?
ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate has a molecular weight of 309.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-2-oxo-4-phenylpyrrolidin-3-yl]benzoate is sourced from PubChem (CID 141265276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).