About N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3103042) has the molecular formula C22H37N5O5
and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide |
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| PubChem CID | 3103042 |
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| Molecular Formula | C22H37N5O5 |
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| Molecular Weight | 451.57 g/mol |
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| Exact Mass | 451.28 |
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| IUPAC Name | N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide |
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| SMILES | CC(C)CC(NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(N)=O |
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| InChI | InChI=1S/C22H37N5O5/c1-12(2)10-15(25-20(30)14-7-8-18(28)24-14)21(31)26-16(11-13(3)4)22(32)27-9-5-6-17(27)19(23)29/h12-17H,5-11H2,1-4H3,(H2,23,29)(H,24,28)(H,25,30)(H,26,31) |
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| InChIKey | CZZFQSUXLRVPBV-UHFFFAOYSA-N |
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| XLogP | -0.20 |
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| TPSA | 150.70 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 32 |
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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 | 451.57 |
| LogP ≤ 5 | -0.20 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 3103042) is N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is CC(C)CC(NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CZZFQSUXLRVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O5/c1-12(2)10-15(25-20(30)14-7-8-18(28)24-14)21(31)26-16(11-13(3)4)22(32)27-9-5-6-17(27)19(23)29/h12-17H,5-11H2,1-4H3,(H2,23,29)(H,24,28)(H,25,30)(H,26,31).
What are the key properties of N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of -0.20, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3103042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).