(1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid

C16H25NO4Si — CID 67798330

IUPAC(1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C3CCCC[C@@H]3[C@H]12
InChIInChI=1S/C16H25NO4Si/c1-9(21-22(2,3)4)12-13-10-7-5-6-8-11(10)14(16(19)20)17(13)15(12)18/h9-10,12-13H,5-8H2,1-4H3,(H,19,20)/t9-,10+,12-,13-/m1/s1
InChIKeyMYNIMWHOYPVAHM-LYIQGSDWSA-N
MW323.47 g/mol
LogP2.60
Rot. Bonds4

About (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid

(1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid (PubChem CID 67798330) has the molecular formula C16H25NO4Si and a molecular weight of 323.47 g/mol. Its IUPAC name is (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid.

Molecular Properties

Compound Name(1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid
PubChem CID67798330
Molecular FormulaC16H25NO4Si
Molecular Weight323.47 g/mol
Exact Mass323.16
IUPAC Name(1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C3CCCC[C@@H]3[C@H]12
InChIInChI=1S/C16H25NO4Si/c1-9(21-22(2,3)4)12-13-10-7-5-6-8-11(10)14(16(19)20)17(13)15(12)18/h9-10,12-13H,5-8H2,1-4H3,(H,19,20)/t9-,10+,12-,13-/m1/s1
InChIKeyMYNIMWHOYPVAHM-LYIQGSDWSA-N
XLogP2.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid?
The IUPAC name of (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid (CID 67798330) is (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid.
What is the SMILES notation for (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid?
The canonical SMILES for (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid is C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C3CCCC[C@@H]3[C@H]12.
What is the InChIKey of (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid?
The InChIKey is MYNIMWHOYPVAHM-LYIQGSDWSA-N. The full InChI is InChI=1S/C16H25NO4Si/c1-9(21-22(2,3)4)12-13-10-7-5-6-8-11(10)14(16(19)20)17(13)15(12)18/h9-10,12-13H,5-8H2,1-4H3,(H,19,20)/t9-,10+,12-,13-/m1/s1.
What are the key properties of (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid?
(1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid has a molecular weight of 323.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aS,8bR)-2-oxo-1-[(1R)-1-trimethylsilyloxyethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid is sourced from PubChem (CID 67798330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).