ChemDB: Chemical Search
Download
Chemical ID: 7244397
Chemical ID:
7244397
Name [?]:
2-(4-butyl-4-methyl-2,5-dioxo-imidazolidin-1-yl)acetic acid
SMILES [?]:
CCCCC1(C(=O)N(C(=O)N1)CC(=O)O)C
InChi [?]:
InChI=1/C10H16N2O4/c1-3-4-5-10(2)8(15)12(6-7(13)14)9(16)11-10/h3-6H2,1-2H3,(H,11,16)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,12,13,6,9,5,11,8,14,15,7,10/E:(13,14)/rA:16cCCCCCCONCONCCOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s5s9;s8;s12;d13;s13;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.23762 |
Area: | 411.538 |
Solvation: | -3.05083 |
Coulombic: | -65.9651 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.245 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.34 |
LogP (Chemaxon): | 0.44 |
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 |
---|