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Chemical ID: 5637886
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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