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
    1.0111   -2.6836   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -1.4774   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0978   -1.6765   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224   -0.1842    0.1059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512    1.0325    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305    2.1197    0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4678    1.2272    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699    0.3652    0.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306    2.5734    0.3315 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -2.3787   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997   -3.3008   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701   -3.3083    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072   -0.1477    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    3.0612    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    2.0549    0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369    2.7231    0.3153 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