HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178917536Generated: November 4, 2026
(2S)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylic acid
(4-Isobutoxybenzoyl)proline · L-Proline, 1-[4-(2-methylpropoxy)benzoyl]- · 1-(4-Isobutoxy-benzoyl)-pyrrolidine-2-carboxylic acid
https://huagongshe.com/en/chemical/178917536
Identifiers & Physical Properties
| CAS No. | 303729-54-6 |
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| Molecular formula | C16H21NO4 |
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| Average molar mass | 291.34 g/mol |
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| SMILES | CC(C)COc1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1 |
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| InChIKey | GNSRCYTXQZAXSS-AWEZNQCLSA-N |
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Chemical & Physical Properties
| XLogP | 2.4 |
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| Topological polar surface area | 66.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 374 |
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| Boiling point | 492.848±40.00 °C(Press: 760.00 Torr)(predicted) |
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| Density | 1.199±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa (acidity coefficient) | 5.367±0.10(predicted) |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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Safety & Regulations
| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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![(2S)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylic acid molecular structure](/img/chemical/178917536.png)