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(3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one

CAS No.:
215121-89-4
Catalog Number:
AG007Q8Y
Molecular Formula:
C18H24N2O5
Molecular Weight:
348.3936
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$200
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Product Description
Catalog Number:
AG007Q8Y
Chemical Name:
(3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one
CAS Number:
215121-89-4
Molecular Formula:
C18H24N2O5
Molecular Weight:
348.3936
MDL Number:
MFCD06656454
IUPAC Name:
2-[(3S)-3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
InChI:
InChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)20-10-9-19(12-15(21)22)16(23)14(20)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChI Key:
NPWBAMOQBLYFEH-AWEZNQCLSA-N
SMILES:
O=C(N1CCN(C(=O)[C@@H]1Cc1ccccc1)CC(=O)O)OC(C)(C)C
Properties
Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
348.169g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.399g/mol
Monoisotopic Mass:
348.169g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties