WS-5   Click here for help

GtoPdb Ligand ID: 6368

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 55.4
Molecular weight 255.18
XLogP 4.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCOC(=O)NC(=O)C1CC(C)CCC1C(C)C
Isomeric SMILES CCOC(=O)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI InChI=1S/C14H25NO3/c1-5-18-14(17)15-13(16)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16,17)/t10-,11+,12-/m1/s1
InChI Key AOTWCRSILVRYCS-GRYCIOLGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]carbamate
Database Links Click here for help
GtoPdb PubChem SID 178102986
PubChem CID 56929299
Search Google for chemical match using the InChIKey AOTWCRSILVRYCS-GRYCIOLGSA-N
Search Google for chemicals with the same backbone AOTWCRSILVRYCS
Search UniChem for chemical match using the InChIKey AOTWCRSILVRYCS-GRYCIOLGSA-N
Search UniChem for chemicals with the same backbone AOTWCRSILVRYCS