2-Imino-3-methyl-5-oxo-1-imidazolidinebutanoic Acid - CAS 213181-98-7
Catalog: |
BB063933 |
Product Name: |
2-Imino-3-methyl-5-oxo-1-imidazolidinebutanoic Acid |
CAS: |
213181-98-7 |
Synonyms: |
4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid; 2-Imino-3-methyl-5-oxoimidazolidine-1-butyric acid; 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoicacid |
IUPAC Name: | 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid |
Description: | 4-(2-Imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 199.21 |
Molecular Formula: | C8H13N3O3 |
Canonical SMILES: | CN1CC(=O)N(C1=N)CCCC(=O)O |
InChI: | InChI=1S/C8H13N3O3/c1-10-5-6(12)11(8(10)9)4-2-3-7(13)14/h9H,2-5H2,1H3,(H,13,14) |
InChI Key: | VWFNOXGEUPBNKI-UHFFFAOYSA-N |
References: | Benkert, A., et al. Anal. Chem., 72, 916 (2000). |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.09569129 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 84.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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