Home Other Building Blocks 5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID

5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID

CAS No.:
5262-10-2
Catalog Number:
AG003BPP
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
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Product Description
Catalog Number:
AG003BPP
Chemical Name:
5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID
CAS Number:
5262-10-2
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD00190764
IUPAC Name:
2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid
InChI:
InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
InChI Key:
VNHJXYUDIBQDDX-UWVGGRQHSA-N
SMILES:
OC(=O)CC1NC(=O)C(NC1=O)Cc1ccccc1
EC Number:
226-075-1
UNII:
ZM82VP15YJ
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties