Chemical ID: 7233786

c1c(nc[nH]1)CC(C(=O)[O-])NC(=O)CC[NH3+]
Chemical ID:
7233786
Name [?]:
2-(3-azaniumylpropanoylamino)-3-(1H-imidazol-4-yl)propanoate
SMILES [?]:
c1c(nc[nH]1)CC(C(=O)[O-])NC(=O)CC[NH3+]
InChi [?]:
InChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,15,6,1,4,2,7,12,8,16,5,3,11,13,9,10/E:(15,16)/rA:16cCCNCNCCCOO-NCOCCN+/rB:d1;s2;d3;s1s4;s2;s6;s7;d8;s8;s7;s11;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14N4O3
All Atoms:30
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:-51.416
Area:414.008
Solvation:-61.7663
Coulombic:-12.0984
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-2.1
LogP (Chemaxon):None

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