tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate

C26H37NO3Si — CID 24773749

IUPACtert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate
SMILESC=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC)C(=O)OC(C)(C)C
InChIInChI=1S/C26H37NO3Si/c1-9-22(23(27-8)24(28)29-25(2,3)4)30-31(26(5,6)7,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h9-19,22-23,27H,1H2,2-8H3/t22-,23-/m0/s1
InChIKeyLRWLLMYVKZHFQZ-GOTSBHOMSA-N
MW439.67 g/mol
LogP4.05
Rot. Bonds8

About tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate

tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate (PubChem CID 24773749) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate
PubChem CID24773749
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Nametert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate
SMILESC=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC)C(=O)OC(C)(C)C
InChIInChI=1S/C26H37NO3Si/c1-9-22(23(27-8)24(28)29-25(2,3)4)30-31(26(5,6)7,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h9-19,22-23,27H,1H2,2-8H3/t22-,23-/m0/s1
InChIKeyLRWLLMYVKZHFQZ-GOTSBHOMSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
CID 10981189
Methyl O-[tert-butyl(diphenyl)silyl]serinate
CID 11210526
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
Boc-xiThr(TBDPS)-OTBDPS
CID 375645
tert-butyl N-[(2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
CID 102450324
tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
CID 134840212
2-(2-methyloxiran-2-yl)ethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134872042
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one
CID 134972742
ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate
CID 135017795
tert-butyl (E,2R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hept-4-enoate
CID 11577563
tert-butyl (E,2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-2-[(2,2,2-trifluoroacetyl)amino]oct-4-enoate
CID 11786523
tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
CID 11991849

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate?
The IUPAC name of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate (CID 24773749) is tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate.
What is the SMILES notation for tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate?
The canonical SMILES for tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate is C=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate?
The InChIKey is LRWLLMYVKZHFQZ-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-9-22(23(27-8)24(28)29-25(2,3)4)30-31(26(5,6)7,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h9-19,22-23,27H,1H2,2-8H3/t22-,23-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate?
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate has a molecular weight of 439.67 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)pent-4-enoate is sourced from PubChem (CID 24773749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).