methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate

C26H43NO6Si — CID 162417431

About methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate

methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate (PubChem CID 162417431) has the molecular formula C26H43NO6Si and a molecular weight of 493.72 g/mol. Its IUPAC name is methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate.

Molecular Properties

• Compound Name: methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate
• PubChem CID: 162417431
• Molecular Formula: C26H43NO6Si
• Molecular Weight: 493.72 g/mol
• Exact Mass: 493.29
• IUPAC Name: methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate
• SMILES: COC(=O)C([C@@H](C(C)(C)C)[Si](C)(C)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C26H43NO6Si/c1-24(2,3)20(34(11,12)18-16-14-13-15-17-18)19(21(28)31-10)27(22(29)32-25(4,5)6)23(30)33-26(7,8)9/h13-17,19-20H,1-12H3/t19?,20-/m0/s1
• InChIKey: QMYSAXHFDYMMBT-ANYOKISRSA-N
• XLogP: 5.73
• TPSA: 82.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.72
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate?

The IUPAC name of methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate (CID 162417431) is methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate.

What is the SMILES notation for methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate?

The canonical SMILES for methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate is COC(=O)C([C@@H](C(C)(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 (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate?

The InChIKey is QMYSAXHFDYMMBT-ANYOKISRSA-N. The full InChI is InChI=1S/C26H43NO6Si/c1-24(2,3)20(34(11,12)18-16-14-13-15-17-18)19(21(28)31-10)27(22(29)32-25(4,5)6)23(30)33-26(7,8)9/h13-17,19-20H,1-12H3/t19?,20-/m0/s1.

What are the key properties of methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate?

methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate has a molecular weight of 493.72 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate is sourced from PubChem (CID 162417431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).