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Chemical ID: 4556143
Chemical ID:
4556143
Name [?]:
methyl 2-(3,4,5-trimethoxybenzoyl)aminopropanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)c1cc(c(c(c1)OC)OC)OC
InChi [?]:
InChI=1/C14H19NO6/c1-8(14(17)21-5)15-13(16)9-6-10(18-2)12(20-4)11(7-9)19-3/h6-8H,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,21,19,6,15,11,2,10,14,12,13,8,3,7,9,4,16,20,18,5/E:(2,3)(6,7)(10,11)(18,19)/rA:21cCCCOOCNCOCCCCCCOCOCOC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s12;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.7575 |
Area: | 500.919 |
Solvation: | -6.76548 |
Coulombic: | -61.3186 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 297.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.0 |
LogP (Chemaxon): | 0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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