Chemical ID: 3993486

CC(C)CC(C(=O)O)NC(=O)N
Chemical ID:
3993486
Name [?]:
4-methyl-2-ureido-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)N
InChi [?]:
InChI=1/C7H14N2O3/c1-4(2)3-5(6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,5,6,10,12,9,7,8,11/E:(1,2)(10,11)/rA:12cCCCCCCOONCON/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14N2O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.13274
Area:348.08
Solvation:-2.56927
Coulombic:-65.6632
Bond Count [?]
All:11
Single:9
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:174.198
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.18
LogP (Chemaxon):0.22

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