[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

C21H48N2O4Si2 — CID 176884346

IUPAC[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCC(O[Si](C)(C)C(C)(C)C)C(N)COC(=O)C(C)(N)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H48N2O4Si2/c1-15(26-28(10,11)19(3,4)5)17(22)14-25-18(24)21(9,23)16(2)27-29(12,13)20(6,7)8/h15-17H,14,22-23H2,1-13H3
InChIKeyQOKZAHZYXSAMOZ-UHFFFAOYSA-N
MW448.80 g/mol
LogP4.39
Rot. Bonds9

About [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 176884346) has the molecular formula C21H48N2O4Si2 and a molecular weight of 448.80 g/mol. Its IUPAC name is [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.

Molecular Properties

Compound Name[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID176884346
Molecular FormulaC21H48N2O4Si2
Molecular Weight448.80 g/mol
Exact Mass448.32
IUPAC Name[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCC(O[Si](C)(C)C(C)(C)C)C(N)COC(=O)C(C)(N)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H48N2O4Si2/c1-15(26-28(10,11)19(3,4)5)17(22)14-25-18(24)21(9,23)16(2)27-29(12,13)20(6,7)8/h15-17H,14,22-23H2,1-13H3
InChIKeyQOKZAHZYXSAMOZ-UHFFFAOYSA-N
XLogP4.39
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.80
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282
[(2S,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylhexyl] 2,2-dimethylpropanoate
CID 11417434
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729
(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10970420

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 176884346) is [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is CC(O[Si](C)(C)C(C)(C)C)C(N)COC(=O)C(C)(N)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is QOKZAHZYXSAMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48N2O4Si2/c1-15(26-28(10,11)19(3,4)5)17(22)14-25-18(24)21(9,23)16(2)27-29(12,13)20(6,7)8/h15-17H,14,22-23H2,1-13H3.
What are the key properties of [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 448.80 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is sourced from PubChem (CID 176884346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).