(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

C14H16N2O4 — CID 92527515

IUPAC(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
SMILESO=C1C[C@@H](N2C(=O)[C@H]3C4CCC(CC4)[C@@H]3C2=O)C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-9-5-8(12(18)15-9)16-13(19)10-6-1-2-7(4-3-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)/t6?,7?,8-,10+,11+/m1/s1
InChIKeyAJWWFPQJJVXIHY-MFNLYNJYSA-N
MW276.29 g/mol
LogP-0.18
Rot. Bonds1

About (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione (PubChem CID 92527515) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione.

Molecular Properties

Compound Name(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
PubChem CID92527515
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
SMILESO=C1C[C@@H](N2C(=O)[C@H]3C4CCC(CC4)[C@@H]3C2=O)C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-9-5-8(12(18)15-9)16-13(19)10-6-1-2-7(4-3-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)/t6?,7?,8-,10+,11+/m1/s1
InChIKeyAJWWFPQJJVXIHY-MFNLYNJYSA-N
XLogP-0.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6S,7S)-4-[(3R)-2,6-dioxopiperidin-3-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 76958691
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,7-dioxoazepan-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733089
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 23170957
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
(3S)-3-(azepan-1-yl)pyrrolidine-2,5-dione
CID 98139557
3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione
CID 115302325
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The IUPAC name of (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione (CID 92527515) is (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione.
What is the SMILES notation for (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The canonical SMILES for (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione is O=C1C[C@@H](N2C(=O)[C@H]3C4CCC(CC4)[C@@H]3C2=O)C(=O)N1.
What is the InChIKey of (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The InChIKey is AJWWFPQJJVXIHY-MFNLYNJYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-9-5-8(12(18)15-9)16-13(19)10-6-1-2-7(4-3-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)/t6?,7?,8-,10+,11+/m1/s1.
What are the key properties of (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione has a molecular weight of 276.29 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione is sourced from PubChem (CID 92527515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).