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148214-86-2 | 1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-methoxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS No: 148214-86-2 Catalog No: AG001FIR MDL No:MFCD28501909
Product Description
Catalog Number:
AG001FIR
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-methoxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS Number:
148214-86-2
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD28501909
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
SMILES:
CO[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
Properties
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
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