tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate

C24H34N4O3Si — CID 163408079

IUPACtert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34N4O3Si/c1-23(2,3)31-22(29)27-19(17-26-28-25)18-30-32(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18H2,1-6H3,(H,27,29)/t19-/m1/s1
InChIKeyAIAHZDOHYDKRSF-LJQANCHMSA-N
MW454.65 g/mol
LogP4.77
Rot. Bonds8

About tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate (PubChem CID 163408079) has the molecular formula C24H34N4O3Si and a molecular weight of 454.65 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
PubChem CID163408079
Molecular FormulaC24H34N4O3Si
Molecular Weight454.65 g/mol
Exact Mass454.24
IUPAC Nametert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34N4O3Si/c1-23(2,3)31-22(29)27-19(17-26-28-25)18-30-32(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18H2,1-6H3,(H,27,29)/t19-/m1/s1
InChIKeyAIAHZDOHYDKRSF-LJQANCHMSA-N
XLogP4.77
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 140870521
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278252
tert-butyl N-[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278767
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate (CID 163408079) is tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The InChIKey is AIAHZDOHYDKRSF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H34N4O3Si/c1-23(2,3)31-22(29)27-19(17-26-28-25)18-30-32(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18H2,1-6H3,(H,27,29)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate has a molecular weight of 454.65 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate is sourced from PubChem (CID 163408079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).