(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

Technical Data

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:	70Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0