Home Carboxys 1-[(tert-butoxy)carbonyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

CAS No.:
1803566-99-5
Catalog Number:
AG01BEGH
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
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Product Description
Catalog Number:
AG01BEGH
Chemical Name:
1-[(tert-butoxy)carbonyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CAS Number:
1803566-99-5
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
MDL Number:
MFCD28118342
IUPAC Name:
5-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-13(9-10-14(18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)
InChI Key:
PLHOSPLRVLUAEX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCC(N1C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties