Chemical ID: 6672502

CC(=O)NC(CC=C)C(=O)O
Chemical ID:
6672502
Name [?]:
2-acetamidopent-4-enoic acid
SMILES [?]:
CC(=O)NC(CC=C)C(=O)O
InChi [?]:
InChI=1/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:8,1,7,6,2,5,9,4,3,10,11/E:(10,11)/rA:11cCCONCCCCCOO/rB:s1;d2;s2;s4;s5;s6;d7;s5;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11NO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.52548
Area:333.557
Solvation:-2.81344
Coulombic:-47.6595
Bond Count [?]
All:10
Single:7
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:157.167
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.18
LogP (Chemaxon):-0.06

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