[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium

C22H22N3O4+ — CID 7456285

IUPAC[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
SMILESO=C1C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H21N3O4/c26-19-11-17(21(28)24(19)13-15-7-3-1-4-8-15)23-18-12-20(27)25(22(18)29)14-16-9-5-2-6-10-16/h1-10,17-18,23H,11-14H2/p+1/t17-,18+
InChIKeyIJXICEILORLYEJ-HDICACEKSA-O
MW392.44 g/mol
LogP0.21
Rot. Bonds6

About [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium

[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 7456285) has the molecular formula C22H22N3O4+ and a molecular weight of 392.44 g/mol. Its IUPAC name is [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID7456285
Molecular FormulaC22H22N3O4+
Molecular Weight392.44 g/mol
Exact Mass392.16
IUPAC Name[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
SMILESO=C1C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H21N3O4/c26-19-11-17(21(28)24(19)13-15-7-3-1-4-8-15)23-18-12-20(27)25(22(18)29)14-16-9-5-2-6-10-16/h1-10,17-18,23H,11-14H2/p+1/t17-,18+
InChIKeyIJXICEILORLYEJ-HDICACEKSA-O
XLogP0.21
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
1-benzyl-3-phenylsulfanylpyrrolidine-2,5-dione
CID 86231924
5-benzyl-1,2,3,3a,7,7a-hexahydropyrrolo[3,4-c]pyridine-4,6-dione
CID 19691399
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
(3S)-1-benzyl-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6923630
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
CID 11191037
(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 945717
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 155114952
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium (CID 7456285) is [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium is O=C1C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1.
What is the InChIKey of [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is IJXICEILORLYEJ-HDICACEKSA-O. The full InChI is InChI=1S/C22H21N3O4/c26-19-11-17(21(28)24(19)13-15-7-3-1-4-8-15)23-18-12-20(27)25(22(18)29)14-16-9-5-2-6-10-16/h1-10,17-18,23H,11-14H2/p+1/t17-,18+.
What are the key properties of [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium?
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 392.44 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 7456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).