[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate

C20H33NO4Si — CID 529368

IUPAC[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
SMILESCC(C)COC(=O)NC(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO4Si/c1-15(2)14-24-19(23)21-17(13-16-11-9-8-10-12-16)18(22)25-26(6,7)20(3,4)5/h8-12,15,17H,13-14H2,1-7H3,(H,21,23)
InChIKeyYAVBGMXIEQOMRH-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.53
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate

[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate (PubChem CID 529368) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
PubChem CID529368
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
SMILESCC(C)COC(=O)NC(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO4Si/c1-15(2)14-24-19(23)21-17(13-16-11-9-8-10-12-16)18(22)25-26(6,7)20(3,4)5/h8-12,15,17H,13-14H2,1-7H3,(H,21,23)
InChIKeyYAVBGMXIEQOMRH-UHFFFAOYSA-N
XLogP4.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylpropoxycarbonylamino)-3-phenylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate (CID 529368) is [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate is CC(C)COC(=O)NC(Cc1ccccc1)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate?
The InChIKey is YAVBGMXIEQOMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-15(2)14-24-19(23)21-17(13-16-11-9-8-10-12-16)18(22)25-26(6,7)20(3,4)5/h8-12,15,17H,13-14H2,1-7H3,(H,21,23).
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate?
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate has a molecular weight of 379.57 g/mol, XLogP of 4.53, 7 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-(2-methylpropoxycarbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 529368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).