Chemical ID: 6551132

CC(C)C(C(=O)O)NC(=O)COc1cccc(c1)OC
Chemical ID:
6551132
Name [?]:
2-[2-(3-methoxyphenoxy)acetyl]amino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)COc1cccc(c1)OC
InChi [?]:
InChI=1/C14H19NO5/c1-9(2)13(14(17)18)15-12(16)8-20-11-6-4-5-10(7-11)19-3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,20,15,16,14,18,11,2,17,13,9,4,5,8,10,6,7,19,12/E:(1,2)(17,18)/rA:20cCCCCCOONCOCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.02671
Area:489.3
Solvation:-6.20579
Coulombic:-62.1001
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:281.304
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.59
LogP (Chemaxon):1.42

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