Chemical ID: 5177423

c1c([nH]cn1)CC(C(=O)[OH2+])N
Chemical ID:
5177423
Name [?]:
[2-amino-3-(3H-imidazol-4-yl)propanoyl]oxonium
SMILES [?]:
c1c([nH]cn1)CC(C(=O)[OH2+])N
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)/p+1
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;s3;s1d4;s2;s6;s7;d8;s8;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10N3O2+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:-37.77
Area:315.946
Solvation:-45.6687
Coulombic:-58.0934
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.163
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-3.43
LogP (Chemaxon):-3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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