Home Other Building Blocks BOC-(S)-ALPHA-(4-BROMOBENZYL)-PROLINE

BOC-(S)-ALPHA-(4-BROMOBENZYL)-PROLINE

CAS No.:
706806-77-1
Catalog Number:
AG005SUH
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
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Product Description
Catalog Number:
AG005SUH
Chemical Name:
BOC-(S)-ALPHA-(4-BROMOBENZYL)-PROLINE
CAS Number:
706806-77-1
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
MDL Number:
MFCD06797551
IUPAC Name:
(2S)-2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI Key:
VQWRXYZZPMLJRL-KRWDZBQOSA-N
SMILES:
Brc1ccc(cc1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties