Chemical ID: 7226515

CC(C)C(C(=O)[O-])[NH3+]
Chemical ID:
7226515
Name [?]:
2-azaniumyl-3-methyl-butanoate
SMILES [?]:
CC(C)C(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,5,8,6,7/E:(1,2)(7,8)/rA:8cCCCCCOO-N+/rB:s1;s2;s2;s4;d5;s5;s4;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H11NO2
All Atoms:19
Heavy Atoms:8
Chiral Atoms:None
ZAP Information [?]
Total:-24.5749
Area:265.707
Solvation:-31.2176
Coulombic:-11.375
Bond Count [?]
All:7
Single:6
Double:1
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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