2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione

C19H16N2O4 — CID 134852375

IUPAC2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione
SMILESO=C1[C@@H](N2C(=O)c3ccccc3C2=O)CN1[C@H](CO)c1ccccc1
InChIInChI=1S/C19H16N2O4/c22-11-16(12-6-2-1-3-7-12)20-10-15(19(20)25)21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15-16,22H,10-11H2/t15-,16+/m0/s1
InChIKeyRUUNASYNZYLDST-JKSUJKDBSA-N
MW336.35 g/mol
LogP1.23
Rot. Bonds4

About 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione

2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione (PubChem CID 134852375) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione
PubChem CID134852375
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione
SMILESO=C1[C@@H](N2C(=O)c3ccccc3C2=O)CN1[C@H](CO)c1ccccc1
InChIInChI=1S/C19H16N2O4/c22-11-16(12-6-2-1-3-7-12)20-10-15(19(20)25)21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15-16,22H,10-11H2/t15-,16+/m0/s1
InChIKeyRUUNASYNZYLDST-JKSUJKDBSA-N
XLogP1.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione 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 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione (CID 134852375) is 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione is O=C1[C@@H](N2C(=O)c3ccccc3C2=O)CN1[C@H](CO)c1ccccc1.
What is the InChIKey of 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione?
The InChIKey is RUUNASYNZYLDST-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-11-16(12-6-2-1-3-7-12)20-10-15(19(20)25)21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15-16,22H,10-11H2/t15-,16+/m0/s1.
What are the key properties of 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione?
2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione has a molecular weight of 336.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-oxoazetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 134852375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).