Home Halogens 3-(5-bromothiophen-2-yl)-4-{[(tert-butoxy)carbonyl]amino}butanoic acid

3-(5-bromothiophen-2-yl)-4-{[(tert-butoxy)carbonyl]amino}butanoic acid

CAS No.:
2137845-67-9
Catalog Number:
AG01ELBZ
Molecular Formula:
C13H18BrNO4S
Molecular Weight:
364.2553
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Product Description
Catalog Number:
AG01ELBZ
Chemical Name:
3-(5-bromothiophen-2-yl)-4-{[(tert-butoxy)carbonyl]amino}butanoic acid
CAS Number:
2137845-67-9
Molecular Formula:
C13H18BrNO4S
Molecular Weight:
364.2553
MDL Number:
MFCD31435903
IUPAC Name:
3-(5-bromothiophen-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C13H18BrNO4S/c1-13(2,3)19-12(18)15-7-8(6-11(16)17)9-4-5-10(14)20-9/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
SAYKDYYTMHAZHY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(c1ccc(s1)Br)CC(=O)O
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.014g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
364.254g/mol
Monoisotopic Mass:
363.014g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties