General Information of the Compound
| Compound ID |
CP0438740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-[3-(2-methoxy-2-oxoethyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H15NO4
|
||||||||||||||||||
| Molecular Weight |
237.255
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)Cc1cccc(C[C@H](N)C(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H15NO4/c1-17-11(14)7-9-4-2-3-8(5-9)6-10(13)12(15)16/h2-5,10H,6-7,13H2,1H3,(H,15,16)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UUYOJJYHZFAUQI-JTQLQIEISA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound