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

C11H11NO4 — CID 729946

IUPAC(3R,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-/m1/s1
InChIKeyIZBMPGFJNIDMRR-RKDXNWHRSA-N
MW221.21 g/mol
LogP-0.72
Rot. Bonds2

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

(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 729946) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID729946
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(3R,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-/m1/s1
InChIKeyIZBMPGFJNIDMRR-RKDXNWHRSA-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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Related Compounds

(3S,4S)-1-benzyl-3-[(R)-cyclohexyl(hydroxy)methyl]-4-hydroxypyrrolidine-2,5-dione
CID 135009180
(1S,2S,6R,7S,8S,9R)-4-benzyl-8-bromo-9-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98068854
(3aS,7aR)-2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 795274
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
3-benzyl-6-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82380265
(1R,2S,6S,7R,8S,9S)-4-benzyl-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 129447940
(1S,2R,6S,7R,8R,9S)-4-benzyl-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98457395
(3aR,4S,7S,7aR)-2-benzyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99734182
methyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 134346997
(3aR,4R,7R,7aS)-2-benzyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 99173411
(1R,2S,3S,7R,8R,9S,10R,14S)-5,12-dibenzyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 124717285

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione (CID 729946) is (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3R,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 (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is IZBMPGFJNIDMRR-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
(3R,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 (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 729946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).