HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53772611Generated: October 25, 2026
N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester
https://huagongshe.com/en/chemical/53772611
Identifiers & Physical Properties
| Molecular formula | C28H32FN3O4 |
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| Average molar mass | 493.6 g/mol |
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| SMILES | CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)c1ccn(-c2ccc(F)cc2)c1)C(C)(C)C |
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| InChIKey | DPRREPUKXICBIU-UKILVPOCSA-N |
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| PubChem CID | 53772611 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 89.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 742 |
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![N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester molecular structure](/img/chemical/53772611.png)