tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

C15H27N3O3 — CID 135396359

IUPACtert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(N)CC1=O
InChIInChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)18-7-5-15(6-8-18)10-17(4)12(19)9-11(15)16/h11H,5-10,16H2,1-4H3
InChIKeyZSFKACOZYZHFPJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.19
Rot. Bonds

About tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 135396359) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID135396359
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(N)CC1=O
InChIInChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)18-7-5-15(6-8-18)10-17(4)12(19)9-11(15)16/h11H,5-10,16H2,1-4H3
InChIKeyZSFKACOZYZHFPJ-UHFFFAOYSA-N
XLogP1.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate
CID 144887478
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
(4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8-azaspiro[4.5]decane-4-carboxylic acid
CID 155905422
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 135396359) is tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(N)CC1=O.
What is the InChIKey of tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is ZSFKACOZYZHFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)18-7-5-15(6-8-18)10-17(4)12(19)9-11(15)16/h11H,5-10,16H2,1-4H3.
What are the key properties of tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 135396359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).