tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate

C14H26N2O3 — CID 118962948

IUPACtert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC1CCN(C(=O)OC(C)(C)C)CC12CCNC2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-5-11(18-4)14(10-16)6-7-15-9-14/h11,15H,5-10H2,1-4H3
InChIKeySFUWVBBWEVMQCY-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 118962948) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID118962948
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC1CCN(C(=O)OC(C)(C)C)CC12CCNC2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-5-11(18-4)14(10-16)6-7-15-9-14/h11,15H,5-10H2,1-4H3
InChIKeySFUWVBBWEVMQCY-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 118962948) is tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate is COC1CCN(C(=O)OC(C)(C)C)CC12CCNC2.
What is the InChIKey of tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is SFUWVBBWEVMQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-5-11(18-4)14(10-16)6-7-15-9-14/h11,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 118962948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).