[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate

C19H39N3O2Si2 — CID 552682

IUPAC[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate
SMILESCn1cncc1CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39N3O2Si2/c1-18(2,3)25(8,9)21-16(12-15-13-20-14-22(15)7)17(23)24-26(10,11)19(4,5)6/h13-14,16,21H,12H2,1-11H3
InChIKeyTYVRDMHJIRFNSI-UHFFFAOYSA-N
MW397.71 g/mol
LogP4.47
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate

[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate (PubChem CID 552682) has the molecular formula C19H39N3O2Si2 and a molecular weight of 397.71 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate
PubChem CID552682
Molecular FormulaC19H39N3O2Si2
Molecular Weight397.71 g/mol
Exact Mass397.26
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate
SMILESCn1cncc1CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39N3O2Si2/c1-18(2,3)25(8,9)21-16(12-15-13-20-14-22(15)7)17(23)24-26(10,11)19(4,5)6/h13-14,16,21H,12H2,1-11H3
InChIKeyTYVRDMHJIRFNSI-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate (CID 552682) is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate is Cn1cncc1CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate?
The InChIKey is TYVRDMHJIRFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2Si2/c1-18(2,3)25(8,9)21-16(12-15-13-20-14-22(15)7)17(23)24-26(10,11)19(4,5)6/h13-14,16,21H,12H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate?
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate has a molecular weight of 397.71 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate is sourced from PubChem (CID 552682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).