tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate

C14H25NO3 — CID 168931594

IUPACtert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCOC1CC2(CCCC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-10-14(7-5-6-8-14)9-11(15)17-4/h11H,5-10H2,1-4H3
InChIKeyOYZOZMMDMAMCJS-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.16
Rot. Bonds1

About tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate

tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 168931594) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate
PubChem CID168931594
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCOC1CC2(CCCC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-10-14(7-5-6-8-14)9-11(15)17-4/h11H,5-10H2,1-4H3
InChIKeyOYZOZMMDMAMCJS-UHFFFAOYSA-N
XLogP3.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate
CID 118333554
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
CID 178194398
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210
5-O-tert-butyl 6-O-(2-methylpropyl) 5-azaspiro[2.4]heptane-5,6-dicarboxylate
CID 123726934
(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
CID 163321517
potassium;methane;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158891517
3-O-tert-butyl 2-O-methyl (1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3-dicarboxylate
CID 168976316
tert-butyl 2-(2,2-difluorocyclopropanecarbonyl)-7-(hydroxymethyl)-2,6-diazaspiro[3.6]decane-6-carboxylate
CID 171756030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate (CID 168931594) is tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate is COC1CC2(CCCC2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is OYZOZMMDMAMCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-10-14(7-5-6-8-14)9-11(15)17-4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate?
tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 168931594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).