methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate

C32H39NO6Si — CID 162417420

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate
SMILESCOC(=O)C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C32H39NO6Si/c1-31(2,3)38-29(35)33(30(36)39-32(4,5)6)27(28(34)37-7)23-40(24-17-11-8-12-18-24,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,27H,23H2,1-7H3
InChIKeyLINYMYGTLURSCW-UHFFFAOYSA-N
MW561.75 g/mol
LogP4.87
Rot. Bonds7

About methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate (PubChem CID 162417420) has the molecular formula C32H39NO6Si and a molecular weight of 561.75 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate
PubChem CID162417420
Molecular FormulaC32H39NO6Si
Molecular Weight561.75 g/mol
Exact Mass561.25
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate
SMILESCOC(=O)C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C32H39NO6Si/c1-31(2,3)38-29(35)33(30(36)39-32(4,5)6)27(28(34)37-7)23-40(24-17-11-8-12-18-24,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,27H,23H2,1-7H3
InChIKeyLINYMYGTLURSCW-UHFFFAOYSA-N
XLogP4.87
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.75
LogP ≤ 54.87
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'}, {'alert_name': 'triphenyl_methyl-silyl', '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-[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 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]propanoate
CID 162417417
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-tribenzylsilylpropanoate
CID 162417425
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
CID 162417430
methyl (2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10647436
Boc-N(Me)Ser(TBDPS)(TBDPS)-OH
CID 101941151
Boc-N(Me)Ser(TBDPS)-OMe
CID 140311631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate (CID 162417420) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate is COC(=O)C(C[Si](c1ccccc1)(c1ccccc1)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-triphenylsilylpropanoate?
The InChIKey is LINYMYGTLURSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO6Si/c1-31(2,3)38-29(35)33(30(36)39-32(4,5)6)27(28(34)37-7)23-40(24-17-11-8-12-18-24,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,27H,23H2,1-7H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triphenylsilylpropanoate has a molecular weight of 561.75 g/mol, XLogP of 4.87, 7 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-triphenylsilylpropanoate is sourced from PubChem (CID 162417420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).