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
   -2.7859   -0.0644   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166    0.3336   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308    1.3049   -1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -0.4237    0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8962   -0.2350    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177   -1.0981    1.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    0.7554   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    1.6245   -0.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358    0.8030    0.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3803    0.5919    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -1.1393   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997    0.0641   -1.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -1.2355    0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314   -1.8581    1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -1.0383    1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691    1.6149   -0.1471 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