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
    2.6900   -0.0448    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085    0.3668   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909    1.5170   -0.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715   -0.5741    0.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -0.4183   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -1.4822   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397    0.7496   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0108    0.7004   -1.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    1.9802   -1.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    0.8714    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2454   -0.3278   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815   -0.8205    1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857   -1.5322    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -2.3744    0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174   -1.4782   -0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509    2.8671   -0.9128 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