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
    2.6690   -0.7790   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099    0.1711   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    1.3357    0.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.2759   -0.1974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432    0.5239   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244    1.8002    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2663   -0.1362   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3035    0.5557   -0.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -1.4714   -0.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -1.2019    0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4696   -0.2397   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713   -1.6356   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0887   -1.3251   -0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687    2.4167    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9343    2.2871    0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2340   -2.0256   -0.3804 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