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
    2.8576    0.3070    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101   -0.3518    0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4165   -1.4335    1.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    0.2931   -0.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394   -0.1744   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166   -1.2672    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    0.6696   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849    1.7231   -1.2907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2753    0.2369   -0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    1.4108    0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096   -0.1188   -0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5119    0.1176    1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805    1.2166   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6981   -1.9697    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -1.5576    0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0040    0.8982   -0.9548 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