ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate

C15H15NO4 — CID 11033026

IUPACethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)12-10-11(12)14(18)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-,11+,12?
InChIKeySFFQYGDIFWFUAF-FOSCPWQOSA-N
MW273.29 g/mol
LogP0.98
Rot. Bonds4

About ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate

ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 11033026) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID11033026
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)12-10-11(12)14(18)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-,11+,12?
InChIKeySFFQYGDIFWFUAF-FOSCPWQOSA-N
XLogP0.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate 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 ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate (CID 11033026) is ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)C1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12.
What is the InChIKey of ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is SFFQYGDIFWFUAF-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-20-15(19)12-10-11(12)14(18)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-,11+,12?.
What are the key properties of ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 11033026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).