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M0K : Summary
Code ![](/pdbe/static/images/help.png)
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M0K
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C13 H14 F N O4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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267.253 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2 |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H14FNO4/c14-9-3-4-10(11(5-9)19-7-12(16)17)13(18)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,18)(H,16,17) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HTGQMFXFEJIGKP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2019-10-01
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Last modified at ![](/pdbe/static/images/help.png)
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2020-10-09
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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