2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate

C15H21NO5 — CID 11277842

IUPAC2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1CC2(CC=CC2)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO5/c1-14(2,3)21-13(19)16-10(11(17)20-4)9-15(12(16)18)7-5-6-8-15/h5-6,10H,7-9H2,1-4H3/t10-/m0/s1
InChIKeyVAWKXMXXYUXPIB-JTQLQIEISA-N
MW295.34 g/mol
LogP2.03
Rot. Bonds1

About 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate

2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate (PubChem CID 11277842) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate
PubChem CID11277842
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1CC2(CC=CC2)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO5/c1-14(2,3)21-13(19)16-10(11(17)20-4)9-15(12(16)18)7-5-6-8-15/h5-6,10H,7-9H2,1-4H3/t10-/m0/s1
InChIKeyVAWKXMXXYUXPIB-JTQLQIEISA-N
XLogP2.03
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate 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 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate (CID 11277842) is 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate is COC(=O)[C@@H]1CC2(CC=CC2)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate?
The InChIKey is VAWKXMXXYUXPIB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21NO5/c1-14(2,3)21-13(19)16-10(11(17)20-4)9-15(12(16)18)7-5-6-8-15/h5-6,10H,7-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate?
2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 3-O-methyl (3S)-1-oxo-2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate is sourced from PubChem (CID 11277842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).