Chemical Components in the PDB

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M0K : Summary

Code

M0K

One-letter code

X

Molecule name

2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid

Formula

C13 H14 F N O4

Formal charge

0

Molecular weight

267.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2
SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2
Canonical SMILES CACTVS 3.385 OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2

IUPAC InChI

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

HTGQMFXFEJIGKP-UHFFFAOYSA-N
M0K

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-01

Last modified at

2020-10-09

Status

Released

Obsoleted

Not Assigned