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
    2.6498    0.6243    0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557    0.6968    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    1.7904   -0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -0.4924   -0.0461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623   -0.6607   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3854   -1.9183   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618    0.3529   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1907    0.0033   -0.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8077    1.7178   -0.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0064   -0.3068   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691    1.5368   -0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647    0.5297    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0501   -1.3701    0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218   -2.1014   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104   -2.7324   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782    2.3301    0.1393 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