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
    2.8385    0.1089    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4048    0.3563   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    1.2426   -0.9351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3484   -0.3961    0.4064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9936   -0.2747    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292   -1.1305    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    0.6466   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776    1.5005   -1.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9434    0.5801   -1.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1592    0.9423    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -0.8489    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    0.1038   -0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -1.1477    1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760   -1.0713    0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -1.8114    1.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3953    1.1994   -1.7185 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