methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate

C22H35NO6Si — CID 162417417

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate
SMILESCOC(=O)C(C[Si](C)(C)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H35NO6Si/c1-21(2,3)28-19(25)23(20(26)29-22(4,5)6)17(18(24)27-7)15-30(8,9)16-13-11-10-12-14-16/h10-14,17H,15H2,1-9H3
InChIKeyNADASTYIOWNWFJ-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.32
Rot. Bonds5

About methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate (PubChem CID 162417417) has the molecular formula C22H35NO6Si and a molecular weight of 437.61 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate
PubChem CID162417417
Molecular FormulaC22H35NO6Si
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate
SMILESCOC(=O)C(C[Si](C)(C)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H35NO6Si/c1-21(2,3)28-19(25)23(20(26)29-22(4,5)6)17(18(24)27-7)15-30(8,9)16-13-11-10-12-14-16/h10-14,17H,15H2,1-9H3
InChIKeyNADASTYIOWNWFJ-UHFFFAOYSA-N
XLogP4.32
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
CID 46915176
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986
methyl (2S)-3-[methyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121987
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
Methyl 3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132559588
methyl (E,2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-enoate
CID 134866328
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate
CID 162417418
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate
CID 162417419
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate
CID 162417420
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tribenzylsilylpropanoate
CID 162417425
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
CID 162417430

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate (CID 162417417) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate is COC(=O)C(C[Si](C)(C)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate?
The InChIKey is NADASTYIOWNWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO6Si/c1-21(2,3)28-19(25)23(20(26)29-22(4,5)6)17(18(24)27-7)15-30(8,9)16-13-11-10-12-14-16/h10-14,17H,15H2,1-9H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate has a molecular weight of 437.61 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate is sourced from PubChem (CID 162417417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).