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
    2.6695    0.7347    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864    0.0322    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4507   -0.6719    1.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    0.2009   -0.2019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883   -0.3992    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335   -1.1990    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242   -0.1247   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259   -0.6503   -0.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911    0.7057   -1.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    0.0950    0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6007    0.8916   -0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275    1.6771    0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863    0.8259   -1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116   -1.4740    1.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2723   -1.5838    1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303    0.9395   -2.5797 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