Chemical ID: 5256113

c1cc2c(cc1N)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O
Chemical ID:
5256113
Name [?]:
2-(5-amino-1,3-dioxo-isoindolin-2-yl)pentanedioic acid
SMILES [?]:
c1cc2c(cc1N)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C13H12N2O6/c14-6-1-2-7-8(5-6)12(19)15(11(7)18)9(13(20)21)3-4-10(16)17/h1-2,5,9H,3-4,14H2,(H,16,17)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,5,6,3,4,13,16,11,8,19,7,10,17,18,12,9,20,21/E:(16,17)(20,21)/rA:21cCCCCCCNCONCOCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3s10;d11;s10;s13;s14;s15;d16;s16;s13;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.01782
Area:470.621
Solvation:-4.74769
Coulombic:-92.876
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.244
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:-0.3
LogP (Chemaxon):-0.99

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