Chemical ID: 6759448

CC(C)NC(=O)C=CC(=O)[O-]
Chemical ID:
6759448
Name [?]:
4-isopropylamino-4-oxo-but-2-enoate
SMILES [?]:
CC(C)NC(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C7H11NO3/c1-5(2)8-6(9)3-4-7(10)11/h3-5H,1-2H3,(H,8,9)(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,7,8,2,5,9,4,6,10,11/E:(1,2)(10,11)/rA:11nCCCNCOCCCOO-/rB:s1;s2;s2;s4;d5;s5;w7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10NO3-
All Atoms:21
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-38.5874
Area:321.618
Solvation:-46.6279
Coulombic:-16.6067
Bond Count [?]
All:10
Single:7
Double:3
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:156.159
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.22
LogP (Chemaxon):0.18

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Descriptor Annotations

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