Chemical ID: 4624229

COc1cc(c(c(c1OC)OC)N)C(=O)OC
Chemical ID:
4624229
Name [?]:
methyl 2-amino-3,4,5-trimethoxy-benzoate
SMILES [?]:
COc1cc(c(c(c1OC)OC)N)C(=O)OC
InChi [?]:
InChI=1/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,12,17,4,5,3,6,8,7,14,13,15,2,9,11,16/rA:17nCOCCCCCCOCOCNCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;s5;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.35221
Area:411.111
Solvation:-4.92557
Coulombic:-58.0203
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:241.241
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.91
LogP (Chemaxon):0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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