(2S,4R)-4-Ethyl-2-hydroxymethyl-1-pyrrolidinecarboxylic Acid tert-Butyl Ester - CAS 924304-84-7
Catalog: |
BB065681 |
Product Name: |
(2S,4R)-4-Ethyl-2-hydroxymethyl-1-pyrrolidinecarboxylic Acid tert-Butyl Ester |
CAS: |
924304-84-7 |
Synonyms: |
(2S-trans)-4-Ethyl-2-hydroxymethyl-1-pyrrolidinecarboxylic Acid tert-Butyl Ester |
IUPAC Name: | tert-butyl (2S,4R)-4-ethyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | A reactant used in the preparation of Clindamycin B 2-Phosphate Ammonium Salt (C580050). |
Molecular Weight: | 229.32 |
Molecular Formula: | C12H23NO3 |
Canonical SMILES: | CCC1CC(N(C1)C(=O)OC(C)(C)C)CO |
InChI: | InChI=1S/C12H23NO3/c1-5-9-6-10(8-14)13(7-9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10+/m1/s1 |
InChI Key: | LNINJRYCPOUYAL-ZJUUUORDSA-N |
Solubility: | Dichloromethane, Methanol |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.1677936 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.1677936 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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