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

C13H15NO4 — CID 134892566

IUPAC(3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione
SMILESCO[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1OC
InChIInChI=1S/C13H15NO4/c1-17-10-11(18-2)13(16)14(12(10)15)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1
InChIKeyOOEMSENBHZKYJI-GHMZBOCLSA-N
MW249.27 g/mol
LogP0.59
Rot. Bonds4

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

(3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione (PubChem CID 134892566) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione
PubChem CID134892566
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione
SMILESCO[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1OC
InChIInChI=1S/C13H15NO4/c1-17-10-11(18-2)13(16)14(12(10)15)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1
InChIKeyOOEMSENBHZKYJI-GHMZBOCLSA-N
XLogP0.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Oxazolidinedione, 3-benzyl-
CID 230350
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 519682
5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
1-Benzyl-4-hydroxypyrrolidin-2-one
CID 9920606
(4S)-1-Benzyl-4-hydroxypyrrolidin-2-one
CID 11074227
1-Benzyl-3-hydroxypyrrolidin-2-one
CID 219255
3-Benzyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 53355704
(3R)-1-benzyl-3,4-dihydroxy-pyrrolidine-2,5-dione
CID 353976
(3R,4S)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729942
(S)-1-benzyl-3-hydroxypyrrolidine-2,5-dione
CID 10954694
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 10072426

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione (CID 134892566) is (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione is CO[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1OC.
What is the InChIKey of (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione?
The InChIKey is OOEMSENBHZKYJI-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-10-11(18-2)13(16)14(12(10)15)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione?
(3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3,4-dimethoxypyrrolidine-2,5-dione is sourced from PubChem (CID 134892566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).