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221142-28-5 | trans-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CAS No: 221142-28-5 Catalog No: AG003BDW MDL No:MFCD02089475
Product Description
Catalog Number:
AG003BDW
Chemical Name:
trans-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CAS Number:
221142-28-5
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD02089475
IUPAC Name:
(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
InChI Key:
KEWYECRQALNJJM-OLZOCXBDSA-N
SMILES:
O=C(N1C[C@@H]([C@H](C1)C(=O)O)c1ccccc1)OC(C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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