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886364-79-0 | 2-(3-Bromobenzyl)-3-((tert-butoxycarbonyl)(methyl)amino)propanoic acid
CAS No: 886364-79-0 Catalog No: AG004A1R MDL No:
Product Description
Catalog Number:
AG004A1R
Chemical Name:
2-(3-Bromobenzyl)-3-((tert-butoxycarbonyl)(methyl)amino)propanoic acid
CAS Number:
886364-79-0
Molecular Formula:
C16H22BrNO4
Molecular Weight:
372.2542
IUPAC Name:
2-[(3-bromophenyl)methyl]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C16H22BrNO4/c1-16(2,3)22-15(21)18(4)10-12(14(19)20)8-11-6-5-7-13(17)9-11/h5-7,9,12H,8,10H2,1-4H3,(H,19,20)
InChI Key:
MSPPAKCVWBPMPP-UHFFFAOYSA-N
SMILES:
OC(=O)C(CN(C(=O)OC(C)(C)C)C)Cc1cccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
372.259g/mol
Monoisotopic Mass:
371.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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