(3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione

C12H13NO3 — CID 10680375

IUPAC(3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C12H13NO3/c14-10-8-11(15)13(12(10)16)7-6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2/t10-/m0/s1
InChIKeyPEGBUFSLBLGCOS-JTQLQIEISA-N
MW219.24 g/mol
LogP0.35
Rot. Bonds3

About (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione

(3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 10680375) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID10680375
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C12H13NO3/c14-10-8-11(15)13(12(10)16)7-6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2/t10-/m0/s1
InChIKeyPEGBUFSLBLGCOS-JTQLQIEISA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 10680375) is (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1C[C@H](O)C(=O)N1CCc1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is PEGBUFSLBLGCOS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO3/c14-10-8-11(15)13(12(10)16)7-6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
(3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 10680375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).