Chemical ID: 7244397

CCCCC1(C(=O)N(C(=O)N1)CC(=O)O)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue