Home Other Building Blocks 1-[(TERT-BUTOXY)CARBONYL]-2-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID

1-[(TERT-BUTOXY)CARBONYL]-2-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID

CAS No.:
744245-06-5
Catalog Number:
AG01E0QQ
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
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Product Description
Catalog Number:
AG01E0QQ
Chemical Name:
1-[(TERT-BUTOXY)CARBONYL]-2-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
CAS Number:
744245-06-5
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD24468893
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-11-7-10-16(17,13(18)19)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,18,19)
InChI Key:
SDGQQGAQSYWSGW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1(C(=O)O)c1ccccc1)OC(C)(C)C
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
1,2,5-Substituted derivatives of 2-phenylpyrrolidine. Acta crystallographica. Section C, Crystal structure communications 20040601
Properties