tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

C12H22N2O3 — CID 97305346

IUPACtert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](N)[C@]2(CCCO2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-9(13)12(8-14)5-4-6-16-12/h9H,4-8,13H2,1-3H3/t9-,12-/m0/s1
InChIKeyHNYUXHMUVZLBQY-CABZTGNLSA-N
MW242.32 g/mol
LogP1.11
Rot. Bonds

About tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate (PubChem CID 97305346) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
PubChem CID97305346
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](N)[C@]2(CCCO2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-9(13)12(8-14)5-4-6-16-12/h9H,4-8,13H2,1-3H3/t9-,12-/m0/s1
InChIKeyHNYUXHMUVZLBQY-CABZTGNLSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate (CID 97305346) is tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1C[C@H](N)[C@]2(CCCO2)C1.
What is the InChIKey of tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The InChIKey is HNYUXHMUVZLBQY-CABZTGNLSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-9(13)12(8-14)5-4-6-16-12/h9H,4-8,13H2,1-3H3/t9-,12-/m0/s1.
What are the key properties of tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 97305346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).