(3S,4S)-tert-Butyl 3,4-Bis(hydroxymethyl)pyrrolidine-1-carboxylate - CAS 895245-31-5
Catalog: |
BB055417 |
Product Name: |
(3S,4S)-tert-Butyl 3,4-Bis(hydroxymethyl)pyrrolidine-1-carboxylate |
CAS: |
895245-31-5 |
Synonyms: |
trans-tert-Butyl 3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate; (3R,4R)-tert-Butyl 3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate; tert-butyl (3R,4R)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate; 1-Pyrrolidinecarboxylic acid, 3,4-bis(hydroxymethyl)-, 1,1-dimethylethylester, (3R,4R)-rel-; tert-butyl trans-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R,4R)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | (3S,4S)-tert-Butyl 3,4-Bis(hydroxymethyl)pyrrolidine-1-carboxylate is an intermediate in the preparation of pyrrolidine- based inhibitors. |
Molecular Weight: | 231.29 |
Molecular Formula: | C11H21NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(C1)CO)CO |
InChI: | InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-4-8(6-13)9(5-12)7-14/h8-9,13-14H,4-7H2,1-3H3/t8-,9-/m1/s1 |
InChI Key: | HEFYZXCUGNIOCW-RKDXNWHRSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.14705815 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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