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

C30H43NO6Si — CID 162417419

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

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate (PubChem CID 162417419) has the molecular formula C30H43NO6Si and a molecular weight of 541.76 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate.

Molecular Properties

• Compound Name: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate
• PubChem CID: 162417419
• Molecular Formula: C30H43NO6Si
• Molecular Weight: 541.76 g/mol
• Exact Mass: 541.29
• IUPAC Name: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate
• SMILES: COC(=O)C(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C30H43NO6Si/c1-28(2,3)36-26(33)31(27(34)37-29(4,5)6)24(25(32)35-10)21-38(30(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-20,24H,21H2,1-10H3
• InChIKey: SEEROMBEJPNSPN-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 82.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.76
LogP ≤ 5	5.76
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 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate?

The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate (CID 162417419) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate.

What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate?

The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate is COC(=O)C(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)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-[tert-butyl(diphenyl)silyl]propanoate?

The InChIKey is SEEROMBEJPNSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO6Si/c1-28(2,3)36-26(33)31(27(34)37-29(4,5)6)24(25(32)35-10)21-38(30(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-20,24H,21H2,1-10H3.

What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate?

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[tert-butyl(diphenyl)silyl]propanoate has a molecular weight of 541.76 g/mol, XLogP of 5.76, 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-[tert-butyl(diphenyl)silyl]propanoate is sourced from PubChem (CID 162417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).