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
    2.7451    0.2757    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971    0.5776    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.7704    0.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -0.5115    0.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838   -0.4033   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4970   -1.5555   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030    0.7756   -0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    1.9250   -0.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0677    0.6280   -0.5977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757   -0.1925    1.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3489    1.1908    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596   -0.4518   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.4866   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9656   -2.4772   -0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411   -1.5101   -0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7002    1.4452   -0.6038 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