Chemical ID: 5097910

CCOc1ccccc1C(C)(C(=O)O)N
Chemical ID:
5097910
Name [?]:
2-amino-2-(2-ethoxyphenyl)-propanoic acid
SMILES [?]:
CCOc1ccccc1C(C)(C(=O)O)N
InChi [?]:
InChI=1/C11H15NO3/c1-3-15-9-7-5-4-6-8(9)11(2,12)10(13)14/h4-7H,3,12H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,11,2,7,6,8,5,9,4,12,10,15,13,14,3/E:(13,14)/rA:15cCCOCCCCCCCCCOON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;d12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.55621
Area:371.988
Solvation:-2.74351
Coulombic:-47.8685
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.92
LogP (Chemaxon):-1.1

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Descriptor Annotations

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