ChemDB: Chemical Search
Download
Chemical ID: 3997300
Chemical ID:
3997300
Name [?]:
2-(7,9-dioxo-6,8-diazaspiro[4.4]non-8-yl)acetic acid
SMILES [?]:
C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)O
InChi [?]:
InChI=1/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,12,13,6,9,4,11,8,14,15,7,10/E:(1,2)(3,4)(12,13)/rA:15nCCCCCCONCONCCOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;d9;s4s9;s8;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.07986 |
Area: | 364.167 |
Solvation: | -3.02431 |
Coulombic: | -65.4273 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.203 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.78 |
LogP (Chemaxon): | -0.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|