ChemDB: Chemical Search
Download
Chemical ID: 7007037
Chemical ID:
7007037
Name [?]:
3-acetamido-3-(4-ethoxy-3-methoxy-phenyl)-propanoic acid
SMILES [?]:
CCOc1ccc(cc1OC)C(CC(=O)O)NC(=O)C
InChi [?]:
InChI=1/C14H19NO5/c1-4-20-12-6-5-10(7-13(12)19-3)11(8-14(17)18)15-9(2)16/h5-7,11H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,11,2,6,5,8,13,18,7,12,4,9,14,17,19,15,16,10,3/E:(17,18)/rA:20cCCOCCCCCCOCCCCOONCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO5 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.83237 |
Area: | 483.423 |
Solvation: | -6.25319 |
Coulombic: | -59.2568 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.304 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.05 |
LogP (Chemaxon): | 0.62 |
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 |
---|