tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

C12H22N2O3 — CID 71305967

IUPACtert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(N)CO2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-5-4-12(8-14)6-9(13)7-16-12/h9H,4-8,13H2,1-3H3
InChIKeyXRSPAFPVVVLQTD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.11
Rot. Bonds

About tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate (PubChem CID 71305967) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
PubChem CID71305967
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(N)CO2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-5-4-12(8-14)6-9(13)7-16-12/h9H,4-8,13H2,1-3H3
InChIKeyXRSPAFPVVVLQTD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate (CID 71305967) is tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC(N)CO2)C1.
What is the InChIKey of tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The InChIKey is XRSPAFPVVVLQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-5-4-12(8-14)6-9(13)7-16-12/h9H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
tert-butyl 3-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 3-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 71305967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).