[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate

C26H58N2O3Si3 — CID 91732826

IUPAC[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
SMILESCC(C)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58N2O3Si3/c1-20(2)18-21(27-32(12,13)24(3,4)5)23(30)28(33(14,15)25(6,7)8)19-22(29)31-34(16,17)26(9,10)11/h20-21,27H,18-19H2,1-17H3
InChIKeyVBVXNTBRZUKVSC-UHFFFAOYSA-N
MW531.02 g/mol
LogP7.38
Rot. Bonds9

About [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate

[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate (PubChem CID 91732826) has the molecular formula C26H58N2O3Si3 and a molecular weight of 531.02 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
PubChem CID91732826
Molecular FormulaC26H58N2O3Si3
Molecular Weight531.02 g/mol
Exact Mass530.38
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
SMILESCC(C)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58N2O3Si3/c1-20(2)18-21(27-32(12,13)24(3,4)5)23(30)28(33(14,15)25(6,7)8)19-22(29)31-34(16,17)26(9,10)11/h20-21,27H,18-19H2,1-17H3
InChIKeyVBVXNTBRZUKVSC-UHFFFAOYSA-N
XLogP7.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.02
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-methoxypropanoate
CID 91696881
[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate
CID 553965
[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
CID 22212014
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
CID 553587
[tert-butyl(dimethyl)silyl] (2S,5E)-2-[[tert-butyl(dimethyl)silyl](15N)amino]-5-[tert-butyl(dimethyl)silyl]imino-5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11828147
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide
CID 102390825
bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate
CID 91753821
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate (CID 91732826) is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate is CC(C)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate?
The InChIKey is VBVXNTBRZUKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N2O3Si3/c1-20(2)18-21(27-32(12,13)24(3,4)5)23(30)28(33(14,15)25(6,7)8)19-22(29)31-34(16,17)26(9,10)11/h20-21,27H,18-19H2,1-17H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate?
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate has a molecular weight of 531.02 g/mol, XLogP of 7.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 91732826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).