[(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate

C19H17NO4 — CID 69036431

IUPAC[(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)CN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO4/c1-13(21)24-18-11-17(22)12-20(18)19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3/t18-/m0/s1
InChIKeyQWMHNQCSFSVGSM-SFHVURJKSA-N
MW323.35 g/mol
LogP2.66
Rot. Bonds3

About [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate

[(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate (PubChem CID 69036431) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate
PubChem CID69036431
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)CN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO4/c1-13(21)24-18-11-17(22)12-20(18)19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3/t18-/m0/s1
InChIKeyQWMHNQCSFSVGSM-SFHVURJKSA-N
XLogP2.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate?
The IUPAC name of [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate (CID 69036431) is [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate.
What is the SMILES notation for [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate?
The canonical SMILES for [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate is CC(=O)O[C@H]1CC(=O)CN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate?
The InChIKey is QWMHNQCSFSVGSM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13(21)24-18-11-17(22)12-20(18)19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate?
[(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate has a molecular weight of 323.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-oxo-1-(4-phenylbenzoyl)pyrrolidin-2-yl] acetate is sourced from PubChem (CID 69036431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).