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944648-73-1,MFCD07364763
Catalog No.:AA00J0S2
944648-73-1 | 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
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Price(USD)
Quantity
  
1g
95%
in stock  
$206.00
- +
5g
95%
in stock  
$662.00
- +
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Technical Information
Catalog Number:
AA00J0S2
Chemical Name:
1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
944648-73-1
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD07364763
IUPAC Name:
1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H17NO3/c1-7(2)3-4-11-6-8(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChI Key:
SPCHGSSOWADNDH-UHFFFAOYSA-N
SMILES:
CC(CCN1CC(CC1=O)C(=O)O)C
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid 
944648-73-1 
ZX-CM000502 
3938AF 
BBL008499 
MFCD07364763 
STK502022 
AKOS000160428 
AKOS016037500 
BBV-047194 
MCULE-4962377817 
RTR-061196 
1-Isopentyl-5-oxopyrrolidine-3-carboxylic acid 
KS-00001M21 
TR-061196 
BB 0239316 
Y-2814 
3-pyrrolidinecarboxylic acid, 1-(3-methylbutyl)-5-oxo- 
1-(3-Methyl-butyl)-5-oxo-pyrrolidine-3-carbox ylic acid 
C10H17NO3 
CID4777960 
1-(3-methylbutyl)-5-oxo-pyrrolidine-3-carboxylic Acid 
AC1NGPFG 
SCHEMBL14477946 
CTK6A7747 
DTXSID70406479 
ALBB-009448 
BB_SC-06334 
ZX-AN008310 
Literature
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