methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate

C23H37NO4Si — CID 46915176

IUPACmethyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H37NO4Si/c1-10-18(29(8,9)19-14-12-11-13-15-19)16-24(22(26)28-23(4,5)6)20(17(2)3)21(25)27-7/h10-15,17,20H,16H2,1-9H3/b18-10-/t20-/m0/s1
InChIKeyIFCPHWLHGGGSLR-JYWRCUDFSA-N
MW419.64 g/mol
LogP4.52
Rot. Bonds7

About methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate

methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate (PubChem CID 46915176) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
PubChem CID46915176
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Namemethyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H37NO4Si/c1-10-18(29(8,9)19-14-12-11-13-15-19)16-24(22(26)28-23(4,5)6)20(17(2)3)21(25)27-7/h10-15,17,20H,16H2,1-9H3/b18-10-/t20-/m0/s1
InChIKeyIFCPHWLHGGGSLR-JYWRCUDFSA-N
XLogP4.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate
CID 46915325
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986
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-[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-triphenylsilylpropanoate
CID 162417420
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
CID 162417430
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate
CID 162417431
methyl (3S)-2-[[3-[dimethyl(phenyl)silyl]-2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoate
CID 166446787

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate (CID 46915176) is methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate is C/C=C(/CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate?
The InChIKey is IFCPHWLHGGGSLR-JYWRCUDFSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-10-18(29(8,9)19-14-12-11-13-15-19)16-24(22(26)28-23(4,5)6)20(17(2)3)21(25)27-7/h10-15,17,20H,16H2,1-9H3/b18-10-/t20-/m0/s1.
What are the key properties of methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate?
methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate has a molecular weight of 419.64 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 46915176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).