(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one

C25H47N3O4Si2 — CID 57005692

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one (PubChem CID 57005692) has the molecular formula C25H47N3O4Si2 and a molecular weight of 509.84 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one.

Molecular Properties

• Compound Name: (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one
• PubChem CID: 57005692
• Molecular Formula: C25H47N3O4Si2
• Molecular Weight: 509.84 g/mol
• Exact Mass: 509.31
• IUPAC Name: (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one
• SMILES: Cc1cn(CCO[Si](C)(C)C(C)(C)C)nc1C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H47N3O4Si2/c1-17-16-28(13-14-31-33(9,10)24(3,4)5)27-22(17)20(29)15-19-21(23(30)26-19)18(2)32-34(11,12)25(6,7)8/h16,18-19,21H,13-15H2,1-12H3,(H,26,30)/t18-,19-,21-/m1/s1
• InChIKey: QORXHYXUHJIHCG-SFHLNBCPSA-N
• XLogP: 5.31
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.84
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one?

The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one (CID 57005692) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one.

What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one?

The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one is Cc1cn(CCO[Si](C)(C)C(C)(C)C)nc1C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one?

The InChIKey is QORXHYXUHJIHCG-SFHLNBCPSA-N. The full InChI is InChI=1S/C25H47N3O4Si2/c1-17-16-28(13-14-31-33(9,10)24(3,4)5)27-22(17)20(29)15-19-21(23(30)26-19)18(2)32-34(11,12)25(6,7)8/h16,18-19,21H,13-15H2,1-12H3,(H,26,30)/t18-,19-,21-/m1/s1.

What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one?

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one has a molecular weight of 509.84 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpyrazol-3-yl]-2-oxoethyl]azetidin-2-one is sourced from PubChem (CID 57005692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).