Chemical ID: 6863845

CC(C)[NH+]1CCNC(=O)C1CC(=O)[O-]
Chemical ID:
6863845
Name [?]:
2-(1-isopropyl-3-oxo-2,4,5,6-tetrahydropyrazin-2-yl)acetate
SMILES [?]:
CC(C)[NH+]1CCNC(=O)C1CC(=O)[O-]
InChi [?]:
InChI=1/C9H16N2O3/c1-6(2)11-4-3-10-9(14)7(11)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,6,5,11,2,10,12,8,7,4,13,14,9/E:(1,2)(12,13)/rA:14cCCCN+CCNCOCCCOO-/rB:s1;s2;s2;s4;s5;s6;s7;d8;s4s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O3
All Atoms:30
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:-35.781
Area:345.851
Solvation:-44.4273
Coulombic:-14.9469
Bond Count [?]
All:14
Single:12
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.235
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.93
LogP (Chemaxon):-3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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