HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86636939Generated: October 29, 2026
1,1-dimethylethyl {(1S)-1-[(2-propen-1-ylamino)carbonyl]-3-buten-1-yl}carbamate
https://huagongshe.com/en/chemical/86636939
Identifiers & Physical Properties
| Molecular formula | C13H22N2O3 |
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| Average molar mass | 254.33 g/mol |
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| SMILES | C=CCNC(=O)[C@H](CC=C)NC(=O)OC(C)(C)C |
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| InChIKey | NMQMPSZCZPIBSL-JTQLQIEISA-N |
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| PubChem CID | 86636939 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 67.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 319 |
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![1,1-dimethylethyl {(1S)-1-[(2-propen-1-ylamino)carbonyl]-3-buten-1-yl}carbamate molecular structure](/img/chemical/86636939.png)