ZUZ
methyl N-(cyclohexanecarbonyl)glycinate
Created: | 2023-07-05 |
Last modified: | 2023-07-26 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | methyl N-(cyclohexanecarbonyl)glycinate |
Systematic Name (OpenEye OEToolkits) | methyl 2-(cyclohexylcarbonylamino)ethanoate |
Formula | C10 H17 N O3 |
Molecular Weight | 199.247 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCC(=O)OC)C1CCCCC1 |
SMILES | CACTVS | 3.385 | COC(=O)CNC(=O)C1CCCCC1 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CNC(=O)C1CCCCC1 |
Canonical SMILES | CACTVS | 3.385 | COC(=O)CNC(=O)C1CCCCC1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CNC(=O)C1CCCCC1 |
InChI | InChI | 1.06 | InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13) |
InChIKey | InChI | 1.06 | ANWVRESNPYHPKG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 558269 |