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1022919-08-9,MFCD05666758
Catalog No.:AA000718
1022919-08-9 | (1-[(5-Methyl-2-furyl)methyl]-3-oxo-2-piperazinyl)acetic acid
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Technical Information
Catalog Number:
AA000718
Chemical Name:
(1-[(5-Methyl-2-furyl)methyl]-3-oxo-2-piperazinyl)acetic acid
CAS Number:
1022919-08-9
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD05666758
IUPAC Name:
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
InChI:
InChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16)
InChI Key:
WZNUTYXPWKUFMM-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)CN1CCNC(=O)C1CC(=O)O
Properties
Computed Properties
 
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  

Synonyms
 
1022919-08-9 
{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetic acid 
CTK4A0900 
KS-00003ZPW 
BBB/484 
DTXSID40388177 
HMS2248B24 
ZX-AH008474 
ZX-AS003716 
ZX-CM017722 
7620AC 
BBL022935 
2-{1-[(5-METHYL-2-FURYL)METHYL]-3-OXO-2-PIPERAZINYL}ACETIC ACID 
MFCD05666758 
SBB080062 
STK324144 
AKOS000319715 
AKOS017269589 
MCULE-1129696323 
RTR-048193 
SDCCGMLS-0063347.P002 
ABA-6320025 
SMR000018841 
{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid 
BB0284697 
TR-048193 
Y-1780 
AN-329/43197471 
SR-01000014534 
SR-01000014534-1 
{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetic acid 
2-{1-[(5-methyl(2-furyl))methyl]-3-oxopiperazin-2-yl}acetic acid 
2-Piperazineacetic acid, 1-[(5-methyl-2-furanyl)methyl]-3-oxo- 
WZNUTYXPWKUFMM-UHFFFAOYSA-N 
2-(1-((5-Methylfuran-2-yl)methyl)-3-oxopiperazin-2-yl)acetic acid 
C12H16N2O4 
CID2997285 
MLS000100443 
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid 
AC1MH6ZI 
ARONIS007710 
CHEMBL1432825 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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