About (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 11632789) has the molecular formula C19H28N6O4
and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide |
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| PubChem CID | 11632789 |
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| Molecular Formula | C19H28N6O4 |
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| Molecular Weight | 404.47 g/mol |
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| Exact Mass | 404.22 |
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| IUPAC Name | (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide |
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| SMILES | CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1 |
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| InChI | InChI=1S/C19H28N6O4/c1-2-4-15-21-10-11(22-15)9-13(24-18(28)12-6-7-16(26)23-12)19(29)25-8-3-5-14(25)17(20)27/h10,12-14H,2-9H2,1H3,(H2,20,27)(H,21,22)(H,23,26)(H,24,28)/t12-,13-,14-/m0/s1 |
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| InChIKey | VCHKQAATQKNCAO-IHRRRGAJSA-N |
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| XLogP | -0.86 |
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| TPSA | 150.28 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 | 29 |
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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 | 404.47 |
| LogP ≤ 5 | -0.86 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 11632789) is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1.
What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VCHKQAATQKNCAO-IHRRRGAJSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-2-4-15-21-10-11(22-15)9-13(24-18(28)12-6-7-16(26)23-12)19(29)25-8-3-5-14(25)17(20)27/h10,12-14H,2-9H2,1H3,(H2,20,27)(H,21,22)(H,23,26)(H,24,28)/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of -0.86, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 11632789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).