Chemical ID: 5255075

CCc1ccc(cc1)NC(C)C(=O)O
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

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