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Chemical ID: 5256113
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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