tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate

C18H25NO3 — CID 58338093

IUPACtert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(OCc3ccccc3)C2)C1
InChIInChI=1S/C18H25NO3/c1-17(2,3)22-16(20)19-12-18(13-19)9-15(10-18)21-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyFZOPVLTXCLJRJV-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 58338093) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID58338093
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(OCc3ccccc3)C2)C1
InChIInChI=1S/C18H25NO3/c1-17(2,3)22-16(20)19-12-18(13-19)9-15(10-18)21-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyFZOPVLTXCLJRJV-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate (CID 58338093) is tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(OCc3ccccc3)C2)C1.
What is the InChIKey of tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is FZOPVLTXCLJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2,3)22-16(20)19-12-18(13-19)9-15(10-18)21-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-phenylmethoxy-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 58338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).