3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one

C₂₆H₃₆N₂O₂Si — CID 156857865

About 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one

3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one (PubChem CID 156857865) has the molecular formula C₂₆H₃₆N₂O₂Si and a molecular weight of 436.67 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
• PubChem CID: 156857865
• Molecular Formula: C₂₆H₃₆N₂O₂Si
• Molecular Weight: 436.67 g/mol
• Exact Mass: 436.25
• IUPAC Name: 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
• SMILES: C=CCC1(C[C@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCNC1=O
• InChI: InChI=1S/C26H36N2O2Si/c1-5-16-26(17-18-28-24(26)29)19-21(27)20-30-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,21H,1,16-20,27H2,2-4H3,(H,28,29)/t21-,26?/m0/s1
• InChIKey: KBMUIVQFFDVBJZ-GVNKFJBHSA-N
• XLogP: 3.36
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.67
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?

The IUPAC name of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one (CID 156857865) is 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one.

What is the SMILES notation for 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?

The canonical SMILES for 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one is C=CCC1(C[C@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCNC1=O.

What is the InChIKey of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?

The InChIKey is KBMUIVQFFDVBJZ-GVNKFJBHSA-N. The full InChI is InChI=1S/C26H36N2O2Si/c1-5-16-26(17-18-28-24(26)29)19-21(27)20-30-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,21H,1,16-20,27H2,2-4H3,(H,28,29)/t21-,26?/m0/s1.

What are the key properties of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?

3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 436.67 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 156857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156857865 — identifiers, structure, computed properties (public domain)

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