About [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid
[3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 135146413) has the molecular formula C18H28N4O6
and a molecular weight of 396.44 g/mol. Its IUPAC name is [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid.
Molecular Properties
| Compound Name | [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid |
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| PubChem CID | 135146413 |
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| Molecular Formula | C18H28N4O6 |
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| Molecular Weight | 396.44 g/mol |
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| Exact Mass | 396.20 |
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| IUPAC Name | [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid |
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| SMILES | CC(O)C(NC(=O)O)C(=O)N1C(C)CCC12CN(CC(=O)N1CCCC1)C2=O |
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| InChI | InChI=1S/C18H28N4O6/c1-11-5-6-18(22(11)15(25)14(12(2)23)19-17(27)28)10-21(16(18)26)9-13(24)20-7-3-4-8-20/h11-12,14,19,23H,3-10H2,1-2H3,(H,27,28) |
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| InChIKey | GEQGVZDHOMPBFF-UHFFFAOYSA-N |
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| XLogP | -0.78 |
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| TPSA | 130.49 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 396.44 |
| LogP ≤ 5 | -0.78 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid (CID 135146413) is [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid is CC(O)C(NC(=O)O)C(=O)N1C(C)CCC12CN(CC(=O)N1CCCC1)C2=O.
What is the InChIKey of [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is GEQGVZDHOMPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O6/c1-11-5-6-18(22(11)15(25)14(12(2)23)19-17(27)28)10-21(16(18)26)9-13(24)20-7-3-4-8-20/h11-12,14,19,23H,3-10H2,1-2H3,(H,27,28).
What are the key properties of [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
[3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 396.44 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 135146413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).