Home Carboxys 1-Pyrrolidinecarboxylic acid, 2-benzoyl-, 1,1-dimethylethyl ester, (2S)-

1-Pyrrolidinecarboxylic acid, 2-benzoyl-, 1,1-dimethylethyl ester, (2S)-

CAS No.:
111492-61-6
Catalog Number:
AG007AE8
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
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Product Description
Catalog Number:
AG007AE8
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-benzoyl-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
111492-61-6
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD24368824
IUPAC Name:
tert-butyl (2S)-2-benzoylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(17)14(18)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m0/s1
InChI Key:
XJQDKMPOKJENLS-ZDUSSCGKSA-N
SMILES:
O=C(N1CCC[C@H]1C(=O)c1ccccc1)OC(C)(C)C
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties