(3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione

C11H11NO4 — CID 729942

IUPAC(3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1[C@@H](O)[C@@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9+
InChIKeyIZBMPGFJNIDMRR-DTORHVGOSA-N
MW221.21 g/mol
LogP-0.72
Rot. Bonds2

About (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione

(3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 729942) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID729942
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1[C@@H](O)[C@@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9+
InChIKeyIZBMPGFJNIDMRR-DTORHVGOSA-N
XLogP-0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione (CID 729942) is (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione is O=C1[C@@H](O)[C@@H](O)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is IZBMPGFJNIDMRR-DTORHVGOSA-N. The full InChI is InChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9+.
What are the key properties of (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
(3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 221.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 729942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).