Home Halogens 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)pentanoic acid

3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)pentanoic acid

CAS No.:
2139153-76-5
Catalog Number:
AG01ELGL
Molecular Formula:
C16H22BrNO4
Molecular Weight:
372.2542
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Product Description
Catalog Number:
AG01ELGL
Chemical Name:
3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)pentanoic acid
CAS Number:
2139153-76-5
Molecular Formula:
C16H22BrNO4
Molecular Weight:
372.2542
MDL Number:
MFCD31667073
IUPAC Name:
3-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C16H22BrNO4/c1-5-12(10-7-6-8-11(17)9-10)13(14(19)20)18-15(21)22-16(2,3)4/h6-9,12-13H,5H2,1-4H3,(H,18,21)(H,19,20)
InChI Key:
WNRGYRVZJGOYMB-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)O)NC(=O)OC(C)(C)C)c1cccc(c1)Br
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.073g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
372.259g/mol
Monoisotopic Mass:
371.073g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties