Chemical ID: 6178835

CC(C)CCOc1cccc(c1)OCC(=O)NCC(=O)O
Chemical ID:
6178835
Name [?]:
2-[2-(3-isopentyloxyphenoxy)acetyl]aminoacetic acid
SMILES [?]:
CC(C)CCOc1cccc(c1)OCC(=O)NCC(=O)O
InChi [?]:
InChI=1/C15H21NO5/c1-11(2)6-7-20-12-4-3-5-13(8-12)21-10-14(17)16-9-15(18)19/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,4,5,12,18,14,2,7,11,15,19,17,16,20,21,6,13/E:(1,2)(18,19)/rA:21nCCCCCOCCCCCCOCCONCCOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.74806
Area:540.31
Solvation:-5.7597
Coulombic:-62.4635
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:2.26
LogP (Chemaxon):1.54

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