Chemical ID: 5100523

Cc1cc(c(cc1C)OC)C(CC(=O)O)N
Chemical ID:
5100523
Name [?]:
3-amino-3-(2-methoxy-4,5-dimethyl-phenyl)-propanoic acid
SMILES [?]:
Cc1cc(c(cc1C)OC)C(CC(=O)O)N
InChi [?]:
InChI=1/C12H17NO3/c1-7-4-9(10(13)6-12(14)15)11(16-3)5-8(7)2/h4-5,10H,6,13H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,10,3,6,12,2,7,4,11,5,13,16,14,15,9/E:(14,15)/rA:16cCCCCCCCCOCCCCOON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4;s11;s12;d13;s13;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.11523
Area:408.347
Solvation:-3.09343
Coulombic:-45.5887
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.58
LogP (Chemaxon):-0.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue