N-Methacryloyl-L-proline - CAS 51161-88-7
Catalog: |
BB060233 |
Product Name: |
N-Methacryloyl-L-proline |
CAS: |
51161-88-7 |
Synonyms: |
1-Methacryloyl-L-proline; 1-(2-Methyl-1-oxo-2-propen-1-yl)-L-proline |
IUPAC Name: | (2S)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid |
Description: | N-Methacryloyl-L-proline is a reactant used in the preparation of affinity ligands for the androstane receptor. |
Molecular Weight: | 183.2 |
Molecular Formula: | C9H13NO3 |
Canonical SMILES: | CC(=C)C(=O)N1CCCC1C(=O)O |
InChI: | InChI=1S/C9H13NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h7H,1,3-5H2,2H3,(H,12,13)/t7-/m0/s1 |
InChI Key: | SJAYUJDJZUWFDO-ZETCQYMHSA-N |
Melting Point: | 98-100ºC |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Beige Solid |
Storage: | Refrigerator |
References: | Kirkovsky, L. et al. J. Med. Chem., 43, 581 (2000). |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.08954328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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