methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

C21H33NO4Si — CID 10982055

About methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (PubChem CID 10982055) has the molecular formula C21H33NO4Si and a molecular weight of 391.58 g/mol. Its IUPAC name is methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate.

Molecular Properties

• Compound Name: methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
• PubChem CID: 10982055
• Molecular Formula: C21H33NO4Si
• Molecular Weight: 391.58 g/mol
• Exact Mass: 391.22
• IUPAC Name: methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
• SMILES: C=C([C@H](C)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C21H33NO4Si/c1-15(16(2)27(8,9)17-13-11-10-12-14-17)21(6,18(23)25-7)22-19(24)26-20(3,4)5/h10-15H,2H2,1,3-9H3,(H,22,24)/t15-,21+/m0/s1
• InChIKey: SAJKNIAFDXBQIX-YCRPNKLZSA-N
• XLogP: 3.79
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.58
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?

The IUPAC name of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (CID 10982055) is methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate.

What is the SMILES notation for methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?

The canonical SMILES for methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate is C=C([C@H](C)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)c1ccccc1.

What is the InChIKey of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?

The InChIKey is SAJKNIAFDXBQIX-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H33NO4Si/c1-15(16(2)27(8,9)17-13-11-10-12-14-17)21(6,18(23)25-7)22-19(24)26-20(3,4)5/h10-15H,2H2,1,3-9H3,(H,22,24)/t15-,21+/m0/s1.

What are the key properties of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?

methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate has a molecular weight of 391.58 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate is sourced from PubChem (CID 10982055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).