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114417-85-5 | 2-Piperazineacetic acid, 3,6-dioxo-, methyl ester, (2S)-
CAS No: 114417-85-5 Catalog No: AG000BA6 MDL No:
Product Description
Catalog Number:
AG000BA6
Chemical Name:
2-Piperazineacetic acid, 3,6-dioxo-, methyl ester, (2S)-
CAS Number:
114417-85-5
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
methyl 2-[(2S)-3,6-dioxopiperazin-2-yl]acetate
InChI:
InChI=1S/C7H10N2O4/c1-13-6(11)2-4-7(12)8-3-5(10)9-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10)/t4-/m0/s1
InChI Key:
FNJRVMKCXNKPKH-BYPYZUCNSA-N
SMILES:
COC(=O)C[C@@H]1NC(=O)CNC1=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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