tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

C14H26N2O3 — CID 71565256

IUPACtert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)COCC(N)C2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(15)9-18-10-14/h11H,4-10,15H2,1-3H3
InChIKeyWLIBCGKRWZEEDX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.75
Rot. Bonds

About tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 71565256) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID71565256
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)COCC(N)C2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(15)9-18-10-14/h11H,4-10,15H2,1-3H3
InChIKeyWLIBCGKRWZEEDX-UHFFFAOYSA-N
XLogP1.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
9-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylic acid
CID 146050262
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 3-morpholin-4-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 169144108

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 71565256) is tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)COCC(N)C2.
What is the InChIKey of tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is WLIBCGKRWZEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(15)9-18-10-14/h11H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 71565256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).