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
   -2.8583    0.1762    0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911    0.5223    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0213    1.6799    0.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4637   -0.4708   -0.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   -0.3848   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951   -1.4908   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.7826    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814    1.9264    0.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1674    0.6859   -0.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0988   -0.0340    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4785    1.0172   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0199   -0.6775   -0.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938   -1.4217   -0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495   -2.3864   -0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6521   -1.4718   -0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    1.5471   -0.1992 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