tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate

C14H25NO3 — CID 134966820

IUPACtert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate
SMILESCC1CC2(CCCN2C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H25NO3/c1-11-10-14(7-9-17-11)6-5-8-15(14)12(16)18-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyJPAUJBOGRMRLPL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.95
Rot. Bonds

About tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate

tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 134966820) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate
PubChem CID134966820
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate
SMILESCC1CC2(CCCN2C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H25NO3/c1-11-10-14(7-9-17-11)6-5-8-15(14)12(16)18-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyJPAUJBOGRMRLPL-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 2-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
CID 124249119
Tert-butyl 2-(bromomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 138987543
Tert-butyl 6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90176680
tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90183866
tert-butyl (5R,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90183867
tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate
CID 102097889
tert-butyl (2S)-2-(oxan-4-yl)pyrrolidine-1-carboxylate
CID 131226802
tert-butyl (2S)-2-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrrolidine-1-carboxylate
CID 162413842
Tert-butyl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 21955197
Ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 23356720
Tert-butyl 2-propyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69908360
Tert-butyl 2-methyl-2-(2-methylperoxyethyl)pyrrolidine-1-carboxylate
CID 89285001

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate (CID 134966820) is tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate is CC1CC2(CCCN2C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is JPAUJBOGRMRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-10-14(7-9-17-11)6-5-8-15(14)12(16)18-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate?
tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 134966820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).