AG001FIR

148214-86-2 | trans tert-Butyl-3-hydroxy-4-methoxypyrrolidine-1-carboxylate

AG001FIR

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CAS Number	148214-86-2
Catalog Number	AG001FIR(AGN-PC-0Q1HWK)
Chemical Name	trans tert-Butyl-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
IUPAC Name	tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
InChI	InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-5-7(12)8(6-11)14-4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChI Key	XAJCELXHUNUFBB-HTQZYQBOSA-N
MDL Number	MFCD28987726
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
SMILES	O=C(N1C[C@H](O)[C@@H](OC)C1)OC(C)(C)C
Synonyms	trans-1-Boc-3-Hydroxy-4-methoxypyrrolidine, tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate, 148214-86-2, 1864003-19-9, tert-butyl trans-3-hydroxy-4-methoxypyrrolidine-1-carboxylate, (3R,4R)-tert-Butyl 3-hydroxy-4-methoxypyrrolidine-1-carboxylate, SCHEMBL10239109, XAJCELXHUNUFBB-HTQZYQBOSA-N, MFCD28987726, AKOS027337071, ZINC113692959, SB15547, SB15548, AS-52825, trans-1-Boc-3-hydroxy-4-methoxy-pyrrolidine, trans-3-methoxy-4-hydroxy-1-Boc-Pyrrolidine, Z2236664046, trans-(racemic)-3-hydroxy-4-methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	217.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.265g/mol
Monoisotopic Mass	217.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H317
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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