ChemDB: Chemical Search
Download
Chemical ID: 4986314
Chemical ID:
4986314
Name [?]:
2-(ethyl-(2-hydroxyethyl)amino)-2-phenyl-acetic acid
SMILES [?]:
CCN(CCO)C(c1ccccc1)C(=O)O
InChi [?]:
InChI=1/C12H17NO3/c1-2-13(8-9-14)11(12(15)16)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,4,5,8,7,14,3,6,15,16/E:(4,5)(6,7)(15,16)/rA:16cCCNCCOCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s3;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.59632 |
Area: | 392.381 |
Solvation: | -4.21319 |
Coulombic: | -49.4858 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.73 |
LogP (Chemaxon): | -1.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|