About cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate
cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 59622358) has the molecular formula C26H49NO7Si
and a molecular weight of 515.76 g/mol. Its IUPAC name is cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate.
Molecular Properties
| Compound Name | cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate |
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| PubChem CID | 59622358 |
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| Molecular Formula | C26H49NO7Si |
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| Molecular Weight | 515.76 g/mol |
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| Exact Mass | 515.33 |
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| IUPAC Name | cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate |
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| SMILES | CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)C(=O)OC1CCCC1 |
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| InChI | InChI=1S/C26H49NO7Si/c1-24(2,3)33-22(29)27(23(30)34-25(4,5)6)20(21(28)32-19-15-12-13-16-19)17-14-18-31-35(10,11)26(7,8)9/h19-20H,12-18H2,1-11H3/t20-/m0/s1 |
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| InChIKey | AZKYZTFTTAPZMB-FQEVSTJZSA-N |
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| XLogP | 6.82 |
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| TPSA | 91.37 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 515.76 |
| LogP ≤ 5 | 6.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 59622358) is cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is AZKYZTFTTAPZMB-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H49NO7Si/c1-24(2,3)33-22(29)27(23(30)34-25(4,5)6)20(21(28)32-19-15-12-13-16-19)17-14-18-31-35(10,11)26(7,8)9/h19-20H,12-18H2,1-11H3/t20-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate?
cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 515.76 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 59622358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).