Chemical ID: 6386409

C1CC1NC(=O)C=CC(=O)O
Chemical ID:
6386409
Name [?]:
4-cyclopropylamino-4-oxo-but-2-enoic acid
SMILES [?]:
C1CC1NC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C7H9NO3/c9-6(3-4-7(10)11)8-5-1-2-5/h3-5H,1-2H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,3,5,9,4,6,10,11/E:(1,2)(10,11)/rA:11nCCCNCOCCCOO/rB:s1;s1s2;s3;s4;d5;s5;w7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9NO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.73308
Area:322.711
Solvation:-3.33469
Coulombic:-45.6795
Bond Count [?]
All:11
Single:8
Double:3
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:155.151
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.08
LogP (Chemaxon):-0.18

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