Chemical ID: 5637886

Cc1cc(c(c(c1)C)NC(C)C(=O)OC)C
Chemical ID:
5637886
Name [?]:
methyl 2-(2,4,6-trimethylphenyl)aminopropanoate
SMILES [?]:
Cc1cc(c(c(c1)C)NC(C)C(=O)OC)C
InChi [?]:
InChI=1/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,16,11,15,7,3,2,6,4,10,5,12,9,13,14/E:(2,3)(6,7)(9,10)/rA:16cCCCCCCCCNCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s10;d12;s12;s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.18475
Area:407.742
Solvation:-2.00881
Coulombic:-31.3598
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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