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Chemical ID: 5779655
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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