Home Carboxys 1,2,4-Piperazinetricarboxylicacid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)-

1,2,4-Piperazinetricarboxylicacid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)-

CAS No.:
954388-33-1
Catalog Number:
AG00IJ4N
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
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Product Description
Catalog Number:
AG00IJ4N
Chemical Name:
1,2,4-Piperazinetricarboxylicacid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)-
CAS Number:
954388-33-1
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
MDL Number:
MFCD04989721
IUPAC Name:
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
InChI:
InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChI Key:
MKXMXZZARNRMMQ-CQSZACIVSA-N
SMILES:
OC(=O)[C@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
364.163g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
364.398g/mol
Monoisotopic Mass:
364.163g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties