Chemical ID: 5098089

Cc1ccc(c(c1)C(C)(C(=O)O)N)OC
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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