tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C27H46N2O6Si — CID 101082438

About tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101082438) has the molecular formula C27H46N2O6Si and a molecular weight of 522.76 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 101082438
• Molecular Formula: C27H46N2O6Si
• Molecular Weight: 522.76 g/mol
• Exact Mass: 522.31
• IUPAC Name: tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: COC(=O)C[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H46N2O6Si/c1-25(2,3)34-24(31)29-22(19-33-27(29,7)8)21(17-23(30)32-9)28(18-20-15-13-12-14-16-20)35-36(10,11)26(4,5)6/h12-16,21-22H,17-19H2,1-11H3/t21-,22-/m0/s1
• InChIKey: HMWNQIFWTWUNBD-VXKWHMMOSA-N
• XLogP: 5.73
• TPSA: 77.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.76
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101082438) is tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)C[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is HMWNQIFWTWUNBD-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H46N2O6Si/c1-25(2,3)34-24(31)29-22(19-33-27(29,7)8)21(17-23(30)32-9)28(18-20-15-13-12-14-16-20)35-36(10,11)26(4,5)6/h12-16,21-22H,17-19H2,1-11H3/t21-,22-/m0/s1.

What are the key properties of tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 522.76 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101082438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).