Chemical ID: 6848126

C=CCNC(=O)C=CC(=O)[O-]
Chemical ID:
6848126
Name [?]:
4-allylamino-4-oxo-but-2-enoate
SMILES [?]:
C=CCNC(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C7H9NO3/c1-2-5-8-6(9)3-4-7(10)11/h2-4H,1,5H2,(H,8,9)(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,7,8,3,5,9,4,6,10,11/E:(10,11)/rA:11nCCCNCOCCCOO-/rB:d1;s2;s3;s4;d5;s5;w7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8NO3-
All Atoms:19
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-38.4347
Area:325.957
Solvation:-46.5836
Coulombic:-18.2041
Bond Count [?]
All:10
Single:6
Double:4
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:154.143
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.49
LogP (Chemaxon):0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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