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Chemical ID: 6178835
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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