ChemDB: Chemical Search
Download
Chemical ID: 7089056
Chemical ID:
7089056
Name [?]:
2-(3,4-dimethylphenyl)aminopropanoic acid
SMILES [?]:
Cc1ccc(cc1C)NC(C)C(=O)O
InChi [?]:
InChI=1/C11H15NO2/c1-7-4-5-10(6-8(7)2)12-9(3)11(13)14/h4-6,9,12H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,11,3,4,6,2,7,10,5,12,9,13,14/E:(13,14)/rA:14cCCCCCCCCNCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.53384 |
Area: | 379.02 |
Solvation: | -1.94166 |
Coulombic: | -39.4983 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 1.43 |
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 |
---|