methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C21H33NO4Si — CID 10960148

IUPACmethyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)C(C)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-9-17(27(7,8)18-13-11-10-12-14-18)15-22(16(2)19(23)25-6)20(24)26-21(3,4)5/h9-14,16H,15H2,1-8H3/b17-9-
InChIKeyUWSHZHFQIGYNNH-MFOYZWKCSA-N
MW391.58 g/mol
LogP3.89
Rot. Bonds6

About methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 10960148) has the molecular formula C21H33NO4Si and a molecular weight of 391.58 g/mol. Its IUPAC name is methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID10960148
Molecular FormulaC21H33NO4Si
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Namemethyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)C(C)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-9-17(27(7,8)18-13-11-10-12-14-18)15-22(16(2)19(23)25-6)20(24)26-21(3,4)5/h9-14,16H,15H2,1-8H3/b17-9-
InChIKeyUWSHZHFQIGYNNH-MFOYZWKCSA-N
XLogP3.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 10960148) is methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is C/C=C(/CN(C(=O)OC(C)(C)C)C(C)C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is UWSHZHFQIGYNNH-MFOYZWKCSA-N. The full InChI is InChI=1S/C21H33NO4Si/c1-9-17(27(7,8)18-13-11-10-12-14-18)15-22(16(2)19(23)25-6)20(24)26-21(3,4)5/h9-14,16H,15H2,1-8H3/b17-9-.
What are the key properties of methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 391.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 10960148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).