tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate

C19H25NO3 — CID 11404273

IUPACtert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(C=CCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H25NO3/c1-18(2,3)23-17(21)20-13-7-11-19(12-8-14-22-19)16(20)15-9-5-4-6-10-15/h4-6,8-10,12,16H,7,11,13-14H2,1-3H3/t16-,19+/m0/s1
InChIKeyADWIVEYTJVKKNJ-QFBILLFUSA-N
MW315.41 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate

tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate (PubChem CID 11404273) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate
PubChem CID11404273
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nametert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(C=CCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H25NO3/c1-18(2,3)23-17(21)20-13-7-11-19(12-8-14-22-19)16(20)15-9-5-4-6-10-15/h4-6,8-10,12,16H,7,11,13-14H2,1-3H3/t16-,19+/m0/s1
InChIKeyADWIVEYTJVKKNJ-QFBILLFUSA-N
XLogP4.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-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 tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate?
The IUPAC name of tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate (CID 11404273) is tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate.
What is the SMILES notation for tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate?
The canonical SMILES for tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@]2(C=CCO2)[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate?
The InChIKey is ADWIVEYTJVKKNJ-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2,3)23-17(21)20-13-7-11-19(12-8-14-22-19)16(20)15-9-5-4-6-10-15/h4-6,8-10,12,16H,7,11,13-14H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate?
tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene-9-carboxylate is sourced from PubChem (CID 11404273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).