Monomers
Sodium 3-acrylamido-3-methylbutanoate
Identifiers
IUPAC name
sodium;3-methyl-3-(prop-2-enoylamino)butanoate
InchI
InChI=1S/C8H13NO3.Na/c1-4-6(10)9-8(2,3)5-7(11)12;/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12);/q;+1/p-1
InchI Key
UYQMMKJPYKVVIC-UHFFFAOYSA-M
SMILES
C=CC(=O)NC(CC(=O)[O-])(C)C.[Na+]
Canonical SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Isomeric SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12NNaO3
Heavy Atom Count
13
Molecular Weight
193.178
Exact Molecular Weight
193.0715
Valence Electrons
68
Radical Electrons
0
tPSA
69.23
MolLogP
-3.7888
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
25 23 0 0 0 0 0 0 0 0999 V2000
3.7575 -0.9811 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 -0.0939 -0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4780 -0.4449 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1626 -1.6531 0.0451 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4848 0.5486 0.0274 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8430 0.2740 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6269 -0.6339 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7910 -0.0904 -1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4271 -0.7590 -2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2912 1.1290 -2.2096 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5471 1.5962 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8475 -0.4018 1.8578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
4.7396 -0.7127 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 -2.0201 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0431 0.9451 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8038 1.5422 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6363 -0.7629 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1096 -1.5914 -0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9369 2.1307 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5516 1.3947 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 2.2530 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.3427 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9267 -0.6097 2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 0.2842 2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
6 11 1 0
6 12 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
7 18 1 0
7 19 1 0
11 20 1 0
11 21 1 0
11 22 1 0
12 23 1 0
12 24 1 0
12 25 1 0
M CHG 2 10 -1 13 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers