Chemical ID: 6750519

c1c(nc[nH]1)CC(C(=O)[O-])[NH3+]
Chemical ID:
6750519
Name [?]:
2-azaniumyl-3-(1H-imidazol-4-yl)propanoate
SMILES [?]:
c1c(nc[nH]1)CC(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:6,1,4,2,7,8,11,5,3,9,10/E:(10,11)/rA:11cCCNCNCCCOO-N+/rB:d1;s2;d3;s1s4;s2;s6;s7;d8;s8;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9N3O2
All Atoms:20
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:-28.8558
Area:314.697
Solvation:-36.7232
Coulombic:-19.6534
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:155.155
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.43
LogP (Chemaxon):-3.38

Name Annotations

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Descriptor Annotations

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