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138026-89-8 | 1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS No: 138026-89-8 Catalog No: AG0017V6 MDL No:MFCD09608005
Product Description
Catalog Number:
AG0017V6
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS Number:
138026-89-8
Molecular Formula:
C16H24N2O3
Molecular Weight:
292.3734
MDL Number:
MFCD09608005
IUPAC Name:
tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m1/s1
InChI Key:
GVYATPKTSSTHKN-ZIAGYGMSSA-N
SMILES:
O[C@@H]1CN(C[C@H]1NCc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
292.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.379g/mol
Monoisotopic Mass:
292.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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