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1240586-09-7 | 1,3-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (3S)-
CAS No: 1240586-09-7 Catalog No: AG000LHN MDL No:
Product Description
Catalog Number:
AG000LHN
Chemical Name:
1,3-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (3S)-
CAS Number:
1240586-09-7
Molecular Formula:
C10H15N2O5-
Molecular Weight:
243.2365
IUPAC Name:
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-4-6(8(14)15)11-7(13)5-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChI Key:
OLXJXLAQYMROED-LURJTMIESA-N
SMILES:
O=C1CN(C[C@H](N1)C(=O)[O-])C(=O)OC(C)(C)C
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
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