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
    2.7670    0.4043    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829   -0.4025    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5643   -1.6401   -0.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368    0.2353    0.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184   -0.3799   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007   -1.6677   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2238    0.4797   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3508   -0.0246   -0.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    1.8463    0.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539   -0.2486    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5807    1.2761    0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    0.7466   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755    1.3053    0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672   -1.9891   -0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -2.3843   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257    2.4433    0.3001 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