About (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
(3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 86271823) has the molecular formula C20H24N8O4
and a molecular weight of 440.46 g/mol. Its IUPAC name is (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
Molecular Properties
| Compound Name | (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one |
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| PubChem CID | 86271823 |
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| Molecular Formula | C20H24N8O4 |
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| Molecular Weight | 440.46 g/mol |
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| Exact Mass | 440.19 |
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| IUPAC Name | (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one |
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| SMILES | C[C@@H]1CC2(CCN(C[C@H](O)c3cnc(-n4cnnn4)cn3)CC2)C(=O)N1C1=CC(=O)OC1 |
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| InChI | InChI=1S/C20H24N8O4/c1-13-7-20(19(31)28(13)14-6-18(30)32-11-14)2-4-26(5-3-20)10-16(29)15-8-22-17(9-21-15)27-12-23-24-25-27/h6,8-9,12-13,16,29H,2-5,7,10-11H2,1H3/t13-,16+/m1/s1 |
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| InChIKey | NMVKTRIQUJQFTP-CJNGLKHVSA-N |
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| XLogP | -0.37 |
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| TPSA | 139.46 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 440.46 |
| LogP ≤ 5 | -0.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 86271823) is (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is C[C@@H]1CC2(CCN(C[C@H](O)c3cnc(-n4cnnn4)cn3)CC2)C(=O)N1C1=CC(=O)OC1.
What is the InChIKey of (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NMVKTRIQUJQFTP-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H24N8O4/c1-13-7-20(19(31)28(13)14-6-18(30)32-11-14)2-4-26(5-3-20)10-16(29)15-8-22-17(9-21-15)27-12-23-24-25-27/h6,8-9,12-13,16,29H,2-5,7,10-11H2,1H3/t13-,16+/m1/s1.
What are the key properties of (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
(3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 440.46 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 86271823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).