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
    2.7709    0.0689    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -0.5541    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733   -1.7911    0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.2684   -0.0327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317   -0.2482   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -1.5073   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366    0.7368   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3400    0.3700   -0.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874    2.0966   -0.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215    1.1068    0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447   -0.0158   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -0.4975    0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4275    1.3309   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -2.3719    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -1.7825   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693    2.7900    0.1359 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