Chemical ID: 5779655

C1CC(=O)N(C1=O)C(CCC(=O)O)C(=O)O
Chemical ID:
5779655
Name [?]:
2-(2,5-dioxopyrrolidin-1-yl)pentanedioic acid
SMILES [?]:
C1CC(=O)N(C1=O)C(CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h5H,1-4H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:9,1,2,10,8,6,3,11,14,5,7,4,12,13,15,16/E:(2,3)(6,7)(11,12)(13,14)(15,16)/rA:16cCCCONCOCCCCOOCOO/rB:s1;s2;d3;s3;s1s5;d6;s5;s8;s9;s10;d11;s11;s8;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO6
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:4.64094
Area:391.787
Solvation:-5.15372
Coulombic:-72.8896
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.187
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-1.44
LogP (Chemaxon):-1.12

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Descriptor Annotations

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