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

C24H36N2O3Si — CID 68774675

IUPACtert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H36N2O3Si/c1-23(2,3)29-22(27)26-19(17-25)18-28-30(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18,25H2,1-6H3,(H,26,27)/t19-/m0/s1
InChIKeySCCRUCKDRWRZBA-IBGZPJMESA-N
MW428.65 g/mol
LogP3.41
Rot. Bonds7

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

tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate (PubChem CID 68774675) has the molecular formula C24H36N2O3Si and a molecular weight of 428.65 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
PubChem CID68774675
Molecular FormulaC24H36N2O3Si
Molecular Weight428.65 g/mol
Exact Mass428.25
IUPAC Nametert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H36N2O3Si/c1-23(2,3)29-22(27)26-19(17-25)18-28-30(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18,25H2,1-6H3,(H,26,27)/t19-/m0/s1
InChIKeySCCRUCKDRWRZBA-IBGZPJMESA-N
XLogP3.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
tert-butyl N-[(Z)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluorooct-5-en-4-yl]carbamate
CID 178342467
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
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
(E)-N-t-Butoxycarbonyl-4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenylamine
CID 59029502
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate (CID 68774675) is tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The InChIKey is SCCRUCKDRWRZBA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H36N2O3Si/c1-23(2,3)29-22(27)26-19(17-25)18-28-30(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18,25H2,1-6H3,(H,26,27)/t19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate has a molecular weight of 428.65 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate is sourced from PubChem (CID 68774675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).