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
    2.6955   -0.4143    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216   -0.5833   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7728   -1.7226   -0.1584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740    0.5160    0.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136    0.5795   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876    1.8089    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -0.5226   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666   -0.2624   -0.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062   -1.8573   -0.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9098   -0.4651    1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2361   -1.2219   -0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9446    0.5820   -0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    1.4705    0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6523    1.9427   -0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    2.6986    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1044   -2.5487    0.2140 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