Methyl (2S,4R)-1-(tert-butoxycarbonyl)-4-methylpyroglutamate - CAS 196394-49-7
Catalog: |
BB059895 |
Product Name: |
Methyl (2S,4R)-1-(tert-butoxycarbonyl)-4-methylpyroglutamate |
CAS: |
196394-49-7 |
Synonyms: |
(2S-trans)-4-Methyl-5-oxo-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2-Methyl Ester |
IUPAC Name: | 1-O-tert-butyl 2-O-methyl (2S,4R)-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate |
Description: | Methyl (2S,4R)-1-(tert-butoxycarbonyl)-4-methylpyroglutamate (cas# 196394-49-7) is a compound useful in organic synthesis. |
Molecular Weight: | 257.28 |
Molecular Formula: | C12H19NO5 |
Canonical SMILES: | CC1CC(N(C1=O)C(=O)OC(C)(C)C)C(=O)OC |
InChI: | InChI=1S/C12H19NO5/c1-7-6-8(10(15)17-5)13(9(7)14)11(16)18-12(2,3)4/h7-8H,6H2,1-5H3/t7-,8+/m1/s1 |
InChI Key: | YTLCHNBFNGFDSD-SFYZADRCSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Yellow to Light Orange Oil |
Storage: | -20°C Freezer |
References: | Todeschi, N., et al. Bioorg. Med. Chem., 5, 335 (1997). |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.12632271 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.12632271 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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