Chemical ID: 4556143

CC(C(=O)OC)NC(=O)c1cc(c(c(c1)OC)OC)OC
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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Descriptor Annotations

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