Chemical ID: 6442401

Cc1ccc(cc1)NC(=O)CCC(C(=O)O)N2C(=O)c3ccccc3C2=O
Chemical ID:
6442401
Name [?]:
2-(1,3-dioxoisoindolin-2-yl)-5-oxo-5-(p-tolylamino)pentanoic acid
SMILES [?]:
Cc1ccc(cc1)NC(=O)CCC(C(=O)O)N2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C20H18N2O5/c1-12-6-8-13(9-7-12)21-17(23)11-10-16(20(26)27)22-18(24)14-4-2-3-5-15(14)19(22)25/h2-9,16H,10-11H2,1H3,(H,21,23)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,3,7,4,6,12,11,2,5,20,25,13,9,18,26,14,8,17,10,19,27,15,16/E:(2,3)(4,5)(6,7)(8,9)(14,15)(18,19)(24,25)(26,27)/rA:27cCCCCCCCNCOCCCCOONCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s14;s13;s17;d18;s18;s20;d21;s22;d23;d20s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.72338
Area:580.645
Solvation:-4.79273
Coulombic:-72.6741
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.31
LogP (Chemaxon):2.34

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Descriptor Annotations

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