RCV
methyl [3-(aminomethyl)phenoxy]acetate
Created: | 2020-02-10 |
Last modified: | 2020-06-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | methyl [3-(aminomethyl)phenoxy]acetate |
Systematic Name (OpenEye OEToolkits) | methyl 2-[3-(aminomethyl)phenoxy]ethanoate |
Formula | C10 H13 N O3 |
Molecular Weight | 195.215 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc(CN)cc1OCC(=O)OC |
SMILES | CACTVS | 3.385 | COC(=O)COc1cccc(CN)c1 |
SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)COc1cccc(c1)CN |
Canonical SMILES | CACTVS | 3.385 | COC(=O)COc1cccc(CN)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)COc1cccc(c1)CN |
InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3 |
InChIKey | InChI | 1.03 | HUXMCFLTUUEWMA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 16774115 |