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1191885-45-6 | 1,2-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2R)-
CAS No: 1191885-45-6 Catalog No: AG000IAZ MDL No:MFCD10698232
Product Description
Catalog Number:
AG000IAZ
Chemical Name:
1,2-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2R)-
CAS Number:
1191885-45-6
Molecular Formula:
C10H15N2O5-
Molecular Weight:
243.2365
MDL Number:
MFCD10698232
IUPAC Name:
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-7(13)11-4-6(12)8(14)15/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChI Key:
PYQDNNRESXVUND-ZCFIWIBFSA-N
SMILES:
O=C1NC[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.247g/mol
Monoisotopic Mass:
244.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis of (S)- and (R)-5-oxo-piperazine-2-carboxylic acid and its application to peptidomimetics. | The Journal of organic chemistry 20091106 |
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