Chemical ID: 4121383

COc1ccc(cc1OC)CCNC(=O)CCCC(=O)O
Chemical ID:
4121383
Name [?]:
5-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxo-pentanoic acid
SMILES [?]:
COc1ccc(cc1OC)CCNC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C15H21NO5/c1-20-12-7-6-11(10-13(12)21-2)8-9-16-14(17)4-3-5-15(18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,5,4,11,12,7,6,3,8,14,19,13,15,20,21,2,9/E:(18,19)/rA:21nCOCCCCCCOCCCNCOCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.30546
Area:535.389
Solvation:-7.07927
Coulombic:-58.8548
Bond Count [?]
All:21
Single:16
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:295.331
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.87
LogP (Chemaxon):0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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