[tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate

C24H43NO5Si2 — CID 91752664

IUPAC[tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H43NO5Si2/c1-12-28-22(27)25-20(21(26)30-32(10,11)24(5,6)7)17-18-13-15-19(16-14-18)29-31(8,9)23(2,3)4/h13-16,20H,12,17H2,1-11H3,(H,25,27)
InChIKeyUSKDFOGPKGHEFX-UHFFFAOYSA-N
MW481.78 g/mol
LogP6.28
Rot. Bonds8

About [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate

[tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate (PubChem CID 91752664) has the molecular formula C24H43NO5Si2 and a molecular weight of 481.78 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate
PubChem CID91752664
Molecular FormulaC24H43NO5Si2
Molecular Weight481.78 g/mol
Exact Mass481.27
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H43NO5Si2/c1-12-28-22(27)25-20(21(26)30-32(10,11)24(5,6)7)17-18-13-15-19(16-14-18)29-31(8,9)23(2,3)4/h13-16,20H,12,17H2,1-11H3,(H,25,27)
InChIKeyUSKDFOGPKGHEFX-UHFFFAOYSA-N
XLogP6.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.78
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oleoyl Tyrosine
CID 52922062
L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-
CID 117439
N-Palmitoyl tyrosine
CID 6710112
tert-Butoxycarbonyl-tyrosine
CID 100117
(2R)-2-(((tert-butoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
CID 1549481
N-Acetyl-L-tyrosine ethyl ester
CID 13289
N-Dodecanoyl-L-Tyrosine
CID 6710104
N-Acetyl-L-tyrosine ethyl ester monohydrate
CID 2723594
Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoate
CID 4459028
methyl (2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoate
CID 68172172
Acetyl tyrosine ethyl ester
CID 2004
N-benzyloxycarbonyl-l-tyrosine
CID 712438

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate (CID 91752664) is [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate is CCOC(=O)NC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate?
The InChIKey is USKDFOGPKGHEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO5Si2/c1-12-28-22(27)25-20(21(26)30-32(10,11)24(5,6)7)17-18-13-15-19(16-14-18)29-31(8,9)23(2,3)4/h13-16,20H,12,17H2,1-11H3,(H,25,27).
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate?
[tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate has a molecular weight of 481.78 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 91752664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).