ChemDB: Chemical Search
Download
Chemical ID: 5753833
Chemical ID:
5753833
Name [?]:
2-amino-6-ureido-hexanoic acid
SMILES [?]:
C(CCNC(=O)N)CC(C(=O)O)N
InChi [?]:
InChI=1/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,9,10,5,13,7,4,11,12,6/E:(11,12)/rA:13cCCCNCONCCCOON/rB:s1;s2;s3;s4;d5;s5;s1;s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15N3O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.87402 |
Area: | 391.24 |
Solvation: | -2.90697 |
Coulombic: | -77.3963 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 189.212 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | -3.55 |
LogP (Chemaxon): | -3.51 |
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 |
---|