Chemical ID: 5098076

Cc1cc(c(c(c1)C(C)(C(=O)O)N)OC)C
Chemical ID:
5098076
Name [?]:
2-amino-2-(2-methoxy-3,5-dimethyl-phenyl)-propanoic acid
SMILES [?]:
Cc1cc(c(c(c1)C(C)(C(=O)O)N)OC)C
InChi [?]:
InChI=1/C12H17NO3/c1-7-5-8(2)10(16-4)9(6-7)12(3,13)11(14)15/h5-6H,13H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,9,15,3,7,2,4,6,5,10,8,13,11,12,14/E:(14,15)/rA:16cCCCCCCCCCCOONOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;d10;s10;s8;s5;s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.09798
Area:384.639
Solvation:-2.51801
Coulombic:-47.6584
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.68
LogP (Chemaxon):-0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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