Chemical ID: 7056061

CCOCCOc1ccc(cc1)OCC(=O)NC(C(C)C)C(=O)O
Chemical ID:
7056061
Name [?]:
2-[2-[4-(2-ethoxyethoxy)phenoxy]acetyl]amino-3-methyl-butanoic acid
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)NC(C(C)C)C(=O)O
InChi [?]:
InChI=1/C17H25NO6/c1-4-22-9-10-23-13-5-7-14(8-6-13)24-11-15(19)18-16(12(2)3)17(20)21/h5-8,12,16H,4,9-11H2,1-3H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,8,12,9,11,4,5,14,19,7,10,15,18,22,17,16,23,24,3,6,13/E:(2,3)(5,6)(7,8)(20,21)/rA:24cCCOCCOCCCCCCOCCONCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;s19;s19;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO6
All Atoms:49
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.12688
Area:585.34
Solvation:-7.50663
Coulombic:-70.0182
Bond Count [?]
All:24
Single:19
Double:5
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:339.384
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.82
LogP (Chemaxon):1.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue