Chemical ID: 5609772

c1cc2c(c(c1)N)C(=O)N(C2=O)CC(=O)O
Chemical ID:
5609772
Name [?]:
2-(4-amino-1,3-dioxo-isoindolin-2-yl)acetic acid
SMILES [?]:
c1cc2c(c(c1)N)C(=O)N(C2=O)CC(=O)O
InChi [?]:
InChI=1/C10H8N2O4/c11-6-3-1-2-5-8(6)10(16)12(9(5)15)4-7(13)14/h1-3H,4,11H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,14,4,11,8,7,10,15,16,12,9/E:(13,14)/rA:16nCCCCCCNCONCOCCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s3s10;d11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.10142
Area:375.876
Solvation:-3.2955
Coulombic:-68.1132
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:220.182
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.3
LogP (Chemaxon):-0.25

Name Annotations

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Descriptor Annotations

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