4-(N-Methylacetamido)butanoic Acid - CAS 117704-99-1
Catalog: |
BB056549 |
Product Name: |
4-(N-Methylacetamido)butanoic Acid |
CAS: |
117704-99-1 |
Synonyms: |
4-(Acetylmethylamino)butanoic Acid |
IUPAC Name: | 4-[acetyl(methyl)amino]butanoic acid |
Description: | 4-(N-Methylacetamido)butanoic Acid is a useful research chemical used in the preparation of N-heterocyclylpyrrolinonyl carboxylates as anticonvulsants. |
Molecular Weight: | 159.18 |
Molecular Formula: | C7H13NO3 |
Canonical SMILES: | CC(=O)N(C)CCCC(=O)O |
InChI: | InChI=1S/C7H13NO3/c1-6(9)8(2)5-3-4-7(10)11/h3-5H2,1-2H3,(H,10,11) |
InChI Key: | WTJQWZDNSPLETG-UHFFFAOYSA-N |
References: | Ref; Bourzat, J. D., et al. Eur. Pat. Appl. EP 271404, 17, (1988). |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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