Chemical ID: 4345741

CC(C)C(=O)Nc1ccc(cc1C(=O)O)O
Chemical ID:
4345741
Name [?]:
5-hydroxy-2-(2-methylpropanoylamino)benzoic acid
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1C(=O)O)O
InChi [?]:
InChI=1/C11H13NO4/c1-6(2)10(14)12-9-4-3-7(13)5-8(9)11(15)16/h3-6,13H,1-2H3,(H,12,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,11,2,10,12,7,4,13,6,16,5,14,15/E:(1,2)(15,16)/rA:16nCCCCONCCCCCCCOOO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.89786
Area:396.641
Solvation:-3.01818
Coulombic:-63.1337
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.25
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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