tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)

C16H33N3O3Os — CID 11295100

IUPACtert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)
SMILESC[C@@H]([N-]C(C)(C)C)[C@H]([N-]C(C)(C)C)C(=O)NC(C)(C)C.O=[Os+2]=O
InChIInChI=1S/C16H33N3O.2O.Os/c1-11(17-14(2,3)4)12(18-15(5,6)7)13(20)19-16(8,9)10;;;/h11-12H,1-10H3,(H,19,20);;;/q-2;;;+2/t11-,12+;;;/m1.../s1
InChIKeyURHIHBZUXYKQCD-GDGSLZPISA-N
MW505.69 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)

tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+) (PubChem CID 11295100) has the molecular formula C16H33N3O3Os and a molecular weight of 505.69 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+).

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)
PubChem CID11295100
Molecular FormulaC16H33N3O3Os
Molecular Weight505.69 g/mol
Exact Mass507.21
IUPAC Nametert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)
SMILESC[C@@H]([N-]C(C)(C)C)[C@H]([N-]C(C)(C)C)C(=O)NC(C)(C)C.O=[Os+2]=O
InChIInChI=1S/C16H33N3O.2O.Os/c1-11(17-14(2,3)4)12(18-15(5,6)7)13(20)19-16(8,9)10;;;/h11-12H,1-10H3,(H,19,20);;;/q-2;;;+2/t11-,12+;;;/m1.../s1
InChIKeyURHIHBZUXYKQCD-GDGSLZPISA-N
XLogP3.76
TPSA91.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83013632
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N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
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(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-(2-methylbutan-2-ylamino)propanamide
CID 43087431
2-butan-2-yloxy-N-tert-butylpropanamide
CID 134316359
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)?
The IUPAC name of tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+) (CID 11295100) is tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+).
What is the SMILES notation for tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)?
The canonical SMILES for tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+) is C[C@@H]([N-]C(C)(C)C)[C@H]([N-]C(C)(C)C)C(=O)NC(C)(C)C.O=[Os+2]=O.
What is the InChIKey of tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)?
The InChIKey is URHIHBZUXYKQCD-GDGSLZPISA-N. The full InChI is InChI=1S/C16H33N3O.2O.Os/c1-11(17-14(2,3)4)12(18-15(5,6)7)13(20)19-16(8,9)10;;;/h11-12H,1-10H3,(H,19,20);;;/q-2;;;+2/t11-,12+;;;/m1.../s1.
What are the key properties of tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+)?
tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+) has a molecular weight of 505.69 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-1-(tert-butylamino)-3-tert-butylazanidyl-1-oxobutan-2-yl]azanide;dioxoosmium(2+) is sourced from PubChem (CID 11295100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).