HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 369201Generated: November 4, 2026
4-[[Bis(1-methylethyl)amino]carbonyl]pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid
https://huagongshe.com/en/chemical/369201
Identifiers & Physical Properties
| CAS No. | 133180-95-7 |
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| Molecular formula | C16H21NO3 |
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| Average molar mass | 275.34 g/mol |
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| Monoisotopic mass | 275.15214353 g/mol |
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| SMILES | CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)C |
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| InChIKey | NVFUHHQMNIDEPB-UHFFFAOYSA-N |
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| PubChem CID | 369201 |
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| ChEMBL | CHEMBL2005046 |
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| DTXSID | DTXSID801118967 |
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Chemical & Physical Properties
| XLogP | 0.9 |
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| Topological polar surface area | 57.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 511 |
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![4-[[Bis(1-methylethyl)amino]carbonyl]pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid molecular structure](/img/chemical/369201.png)