Monomers

2-Acetamidoacrylic acid

Identifiers

IUPAC name
2-acetamidoprop-2-enoic acid
InchI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InchI Key
UFDFFEMHDKXMBG-UHFFFAOYSA-N
SMILES
CC(=O)NC(=C)C(=O)O
Canonical SMILES
CC(=O)NC(=C)C(=O)O
Isomeric SMILES
CC(=O)NC(=C)C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7NO3
Heavy Atom Count
9
Molecular Weight
129.115
Exact Molecular Weight
129.0426
Valence Electrons
50
Radical Electrons
0
tPSA
66.4
MolLogP
-0.2792
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.6790    1.0005    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    0.3268    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355   -0.1258    1.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3686    0.2182   -0.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949   -0.3795   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782   -0.9237    0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846   -0.3689   -1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4491    0.1437   -2.4076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0614   -0.9522   -1.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883    1.1095   -0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.3237    0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    1.9514    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434    0.6588   -1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610   -1.0149    1.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3093   -1.3614    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380   -0.6063   -1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers