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336818-78-1

336818-78-1 | (2S,4R)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

CAS No: 336818-78-1 Catalog No: AG0037ZU MDL No:MFCD06739063

Product Description

Catalog Number:
AG0037ZU
Chemical Name:
(2S,4R)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
CAS Number:
336818-78-1
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD06739063
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChI Key:
JDAQDIQHICLYKH-STQMWFEESA-N
SMILES:
O=C(N1C[C@H](C[C@H]1C(=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:
2.6  

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