Chemical ID: 4926626

CCC(C)C(C(=O)[OH2+])N
Chemical ID:
4926626
Name [?]:
(2-amino-3-methyl-pentanoyl)oxonium
SMILES [?]:
CCC(C)C(C(=O)[OH2+])N
InChi [?]:
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1
InChi Info:
AuxInfo=1/1/N:1,4,2,3,5,6,9,7,8/E:(8,9)/rA:9cCCCCCCOO+N/rB:s1;s2;s3;s3;s5;d6;s6;s5;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14NO2+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:2
ZAP Information [?]
Total:-35.0804
Area:291.615
Solvation:-42.3708
Coulombic:-47.6691
Bond Count [?]
All:8
Single:7
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:132.181
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-1.6
LogP (Chemaxon):-1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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