About fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 59081089) has the molecular formula C18H32FmN2O5S
and a molecular weight of 645.53 g/mol. Its IUPAC name is fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid.
Molecular Properties
| Compound Name | fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid |
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| PubChem CID | 59081089 |
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| Molecular Formula | C18H32FmN2O5S |
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| Molecular Weight | 645.53 g/mol |
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| Exact Mass | 645.30 |
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| IUPAC Name | fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid |
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| SMILES | CC(C)CC(C(=O)NC(C(=O)O)C(C)(C)C)C(C(=O)NO)C1CCSC1.[Fm] |
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| InChI | InChI=1S/C18H32N2O5S.Fm/c1-10(2)8-12(13(16(22)20-25)11-6-7-26-9-11)15(21)19-14(17(23)24)18(3,4)5;/h10-14,25H,6-9H2,1-5H3,(H,19,21)(H,20,22)(H,23,24); |
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| InChIKey | SNXXHBOAMVNLCL-UHFFFAOYSA-N |
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| XLogP | 2.14 |
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| TPSA | 115.73 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 645.53 |
| LogP ≤ 5 | 2.14 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid (CID 59081089) is fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid is CC(C)CC(C(=O)NC(C(=O)O)C(C)(C)C)C(C(=O)NO)C1CCSC1.[Fm].
What is the InChIKey of fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is SNXXHBOAMVNLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5S.Fm/c1-10(2)8-12(13(16(22)20-25)11-6-7-26-9-11)15(21)19-14(17(23)24)18(3,4)5;/h10-14,25H,6-9H2,1-5H3,(H,19,21)(H,20,22)(H,23,24);.
What are the key properties of fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 645.53 g/mol, XLogP of 2.14, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-[[2-[2-(hydroxyamino)-2-oxo-1-(thiolan-3-yl)ethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 59081089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).