Chemical ID: 7089056

Cc1ccc(cc1C)NC(C)C(=O)O
Chemical ID:
7089056
Name [?]:
2-(3,4-dimethylphenyl)aminopropanoic acid
SMILES [?]:
Cc1ccc(cc1C)NC(C)C(=O)O
InChi [?]:
InChI=1/C11H15NO2/c1-7-4-5-10(6-8(7)2)12-9(3)11(13)14/h4-6,9,12H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,11,3,4,6,2,7,10,5,12,9,13,14/E:(13,14)/rA:14cCCCCCCCCNCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:29
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.53384
Area:379.02
Solvation:-1.94166
Coulombic:-39.4983
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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