Chemical ID: 7007037

CCOc1ccc(cc1OC)C(CC(=O)O)NC(=O)C
Chemical ID:
7007037
Name [?]:
3-acetamido-3-(4-ethoxy-3-methoxy-phenyl)-propanoic acid
SMILES [?]:
CCOc1ccc(cc1OC)C(CC(=O)O)NC(=O)C
InChi [?]:
InChI=1/C14H19NO5/c1-4-20-12-6-5-10(7-13(12)19-3)11(8-14(17)18)15-9(2)16/h5-7,11H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,11,2,6,5,8,13,18,7,12,4,9,14,17,19,15,16,10,3/E:(17,18)/rA:20cCCOCCCCCCOCCCCOONCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO5
All Atoms:39
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:5.83237
Area:483.423
Solvation:-6.25319
Coulombic:-59.2568
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:281.304
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.05
LogP (Chemaxon):0.62

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Descriptor Annotations

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