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Chemical ID: 5098089
Chemical ID:
5098089
Name [?]:
2-amino-2-(2-methoxy-5-methyl-phenyl)-propanoic acid
SMILES [?]:
Cc1ccc(c(c1)C(C)(C(=O)O)N)OC
InChi [?]:
InChI=1/C11H15NO3/c1-7-4-5-9(15-3)8(6-7)11(2,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,15,3,4,7,2,6,5,10,8,13,11,12,14/E:(13,14)/rA:15cCCCCCCCCCCOONOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;d10;s10;s8;s5;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.99115 |
Area: | 367.483 |
Solvation: | -3.19594 |
Coulombic: | -46.9523 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.242 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.91 |
LogP (Chemaxon): | -0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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