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
    2.6720    0.0212   -0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -0.5200   -0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190   -1.6070   -1.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    0.1827    0.0495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0526   -0.2207    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -1.3266   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226    0.6890    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1044    0.3421    1.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.8674    1.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    1.1079   -0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -0.3850   -1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587   -0.3244    0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6275    1.1053    0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -2.0744   -0.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -1.5232   -0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033    2.6659    1.7398 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