tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate

C12H21NO3 — CID 167720735

IUPACtert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CC2(CCOCC2)N1
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-10(14)9-8-12(13-9)4-6-15-7-5-12/h9,13H,4-8H2,1-3H3
InChIKeyGYVRGTXCZDANBL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 167720735) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate
PubChem CID167720735
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CC2(CCOCC2)N1
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-10(14)9-8-12(13-9)4-6-15-7-5-12/h9,13H,4-8H2,1-3H3
InChIKeyGYVRGTXCZDANBL-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl cyclopropanecarboxylate;oxane
CID 142447731
tert-butyl 1,3-oxazolidine-4-carboxylate
CID 139927361
ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate
CID 97295072
methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
CID 105453383
tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307
tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate
CID 154961836
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl 2,7-dioxo-1,3-diazepane-4-carboxylate
CID 170452721
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
tert-butyl acetate;oxolane
CID 174954006
tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
CID 10511752
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate (CID 167720735) is tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)C1CC2(CCOCC2)N1.
What is the InChIKey of tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is GYVRGTXCZDANBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)9-8-12(13-9)4-6-15-7-5-12/h9,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 167720735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).