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1262892-01-2 | 2-Piperazineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (2S)-
CAS No: 1262892-01-2 Catalog No: AG000SHG MDL No:
Product Description
Catalog Number:
AG000SHG
Chemical Name:
2-Piperazineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (2S)-
CAS Number:
1262892-01-2
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
IUPAC Name:
tert-butyl (2S)-2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-8-9(14)7-10(15)17-4/h9,13H,5-8H2,1-4H3/t9-/m0/s1
InChI Key:
XFNONNLAJOFYHF-VIFPVBQESA-N
SMILES:
COC(=O)C[C@H]1CNCCN1C(=O)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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