Chemical ID: 6882244

C[NH+](C)CCNC(=O)C=CC(=O)[O-]
Chemical ID:
6882244
Name [?]:
4-(2-dimethylammonioethylamino)-4-oxo-but-2-enoate
SMILES [?]:
C[NH+](C)CCNC(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C8H14N2O3/c1-10(2)6-5-9-7(11)3-4-8(12)13/h3-4H,5-6H2,1-2H3,(H,9,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,5,4,7,11,6,2,8,12,13/E:(1,2)(12,13)/rA:13nCN+CCCNCOCCCOO-/rB:s1;s2;s2;s4;s5;s6;d7;s7;w9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14N2O3
All Atoms:27
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-49.5382
Area:373.754
Solvation:-58.8821
Coulombic:-5.58219
Bond Count [?]
All:12
Single:9
Double:3
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:186.208
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-1.25
LogP (Chemaxon):-4.33

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