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

C24H39NO6Si — CID 162417430

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

methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate (PubChem CID 162417430) has the molecular formula C24H39NO6Si and a molecular weight of 465.66 g/mol. Its IUPAC name is methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate.

Molecular Properties

• Compound Name: methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
• PubChem CID: 162417430
• Molecular Formula: C24H39NO6Si
• Molecular Weight: 465.66 g/mol
• Exact Mass: 465.25
• IUPAC Name: methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
• SMILES: CC[C@H](C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C24H39NO6Si/c1-11-18(32(9,10)17-15-13-12-14-16-17)19(20(26)29-8)25(21(27)30-23(2,3)4)22(28)31-24(5,6)7/h12-16,18-19H,11H2,1-10H3/t18-,19?/m1/s1
• InChIKey: HMYKQLCSLRDJGV-MRTLOADZSA-N
• XLogP: 5.10
• TPSA: 82.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.66
LogP ≤ 5	5.10
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]pentanoate?

The IUPAC name of methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate (CID 162417430) is methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate.

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

The canonical SMILES for methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate is CC[C@H](C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.

What is the InChIKey of methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate?

The InChIKey is HMYKQLCSLRDJGV-MRTLOADZSA-N. The full InChI is InChI=1S/C24H39NO6Si/c1-11-18(32(9,10)17-15-13-12-14-16-17)19(20(26)29-8)25(21(27)30-23(2,3)4)22(28)31-24(5,6)7/h12-16,18-19H,11H2,1-10H3/t18-,19?/m1/s1.

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

methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate has a molecular weight of 465.66 g/mol, XLogP of 5.10, 6 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]pentanoate is sourced from PubChem (CID 162417430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).