General Information of the Compound
| Compound ID |
CP0487200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-[3-(2-hydroxyethoxycarbonyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H15NO5
|
||||||||||||||||||
| Molecular Weight |
253.254
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1cccc(c1)C(=O)OCCO)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H15NO5/c13-10(11(15)16)7-8-2-1-3-9(6-8)12(17)18-5-4-14/h1-3,6,10,14H,4-5,7,13H2,(H,15,16)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKUGEYZFKRHITK-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