tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

C17H23NO4 — CID 134231147

IUPACtert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)CC(O)(c1ccccc1)CO2
InChIInChI=1S/C17H23NO4/c1-15(2,3)22-14(19)18-10-16(11-18)9-17(20,12-21-16)13-7-5-4-6-8-13/h4-8,20H,9-12H2,1-3H3
InChIKeyIEQMWOYGVGYVGO-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.28
Rot. Bonds1

About tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 134231147) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID134231147
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)CC(O)(c1ccccc1)CO2
InChIInChI=1S/C17H23NO4/c1-15(2,3)22-14(19)18-10-16(11-18)9-17(20,12-21-16)13-7-5-4-6-8-13/h4-8,20H,9-12H2,1-3H3
InChIKeyIEQMWOYGVGYVGO-UHFFFAOYSA-N
XLogP2.28
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70992618
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tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
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tert-butyl 3-(cyanomethyl)-3-phenylazetidine-1-carboxylate
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tert-butyl 6-hydroxy-6-pyridin-3-yl-2-azaspiro[3.3]heptane-2-carboxylate
CID 168920605
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
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tert-butyl 6-hydroxy-6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 171093053
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
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CID 115373753

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate (CID 134231147) is tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)CC(O)(c1ccccc1)CO2.
What is the InChIKey of tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is IEQMWOYGVGYVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-15(2,3)22-14(19)18-10-16(11-18)9-17(20,12-21-16)13-7-5-4-6-8-13/h4-8,20H,9-12H2,1-3H3.
What are the key properties of tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 134231147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).