Chemical ID: 4152973

COc1ccc(cc1)NC(=O)CCC(=O)O
Chemical ID:
4152973
Name [?]:
4-(4-methoxyphenyl)amino-4-oxo-butanoic acid
SMILES [?]:
COc1ccc(cc1)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C11H13NO4/c1-16-9-4-2-8(3-5-9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,12,13,6,3,10,14,9,11,15,16,2/E:(2,3)(4,5)(14,15)/rA:16nCOCCCCCCNCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.26232
Area:414.067
Solvation:-4.08936
Coulombic:-51.51
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.56
LogP (Chemaxon):0.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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