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

C27H37NO6Si — CID 162417418

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate
SMILESCOC(=O)C(C[Si](C)(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H37NO6Si/c1-26(2,3)33-24(30)28(25(31)34-27(4,5)6)22(23(29)32-7)19-35(8,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,19H2,1-8H3
InChIKeyWMJWCYXSBVUCLS-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.59
Rot. Bonds6

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

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate (PubChem CID 162417418) has the molecular formula C27H37NO6Si and a molecular weight of 499.68 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate
PubChem CID162417418
Molecular FormulaC27H37NO6Si
Molecular Weight499.68 g/mol
Exact Mass499.24
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate
SMILESCOC(=O)C(C[Si](C)(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H37NO6Si/c1-26(2,3)33-24(30)28(25(31)34-27(4,5)6)22(23(29)32-7)19-35(8,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,19H2,1-8H3
InChIKeyWMJWCYXSBVUCLS-UHFFFAOYSA-N
XLogP4.59
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.59
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

tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 10741724
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
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
CID 75233329
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 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-[tert-butyl(diphenyl)silyl]propanoate
CID 162417419

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate (CID 162417418) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate is COC(=O)C(C[Si](C)(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-[methyl(diphenyl)silyl]propanoate?
The InChIKey is WMJWCYXSBVUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO6Si/c1-26(2,3)33-24(30)28(25(31)34-27(4,5)6)22(23(29)32-7)19-35(8,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,19H2,1-8H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[methyl(diphenyl)silyl]propanoate has a molecular weight of 499.68 g/mol, XLogP of 4.59, 6 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-[methyl(diphenyl)silyl]propanoate is sourced from PubChem (CID 162417418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).