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Chemical ID: 5097910
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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