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Chemical ID: 5255075
Chemical ID:
5255075
Name [?]:
2-(4-ethylphenyl)aminopropanoic acid
SMILES [?]:
CCc1ccc(cc1)NC(C)C(=O)O
InChi [?]:
InChI=1/C11H15NO2/c1-3-9-4-6-10(7-5-9)12-8(2)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,11,2,4,8,5,7,10,3,6,12,9,13,14/E:(4,5)(6,7)(13,14)/rA:14cCCCCCCCCNCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.65313 |
Area: | 383.353 |
Solvation: | -1.93069 |
Coulombic: | -40.0726 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.48 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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