tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

C12H22N2O3 — CID 71305964

IUPACtert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCOCC2N)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-12(8-14)4-5-16-6-9(12)13/h9H,4-8,13H2,1-3H3
InChIKeyGNQAATURSWLECH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds

About tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 71305964) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID71305964
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCOCC2N)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-12(8-14)4-5-16-6-9(12)13/h9H,4-8,13H2,1-3H3
InChIKeyGNQAATURSWLECH-UHFFFAOYSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
CID 170758425
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 129408071
tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
CID 170898194
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl 5-amino-8-oxo-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 71305890
tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate;ethane
CID 144626869

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate (CID 71305964) is tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCOCC2N)C1.
What is the InChIKey of tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is GNQAATURSWLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-12(8-14)4-5-16-6-9(12)13/h9H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 71305964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).