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100390-48-5,MFCD00100664
Catalog No.:AA0001SR
100390-48-5 | Phenyl-pyrrolidin-1-yl-acetic acid
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Purity
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250mg
98%
in stock  
$191.00   $134.00
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1g
96%
in stock  
$450.00   $315.00
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5g
96%
in stock  
$1,331.00   $932.00
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10g
96%
in stock  
$2,422.00   $1,695.00
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25g
96%
in stock  
$3,486.00  Inquire $2,440.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001SR
Chemical Name:
Phenyl-pyrrolidin-1-yl-acetic acid
CAS Number:
100390-48-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00100664
IUPAC Name:
2-phenyl-2-pyrrolidin-1-ylacetic acid
InChI:
InChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChI Key:
HYOZIYFGQLGJFY-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)N1CCCC1
Properties
Computed Properties
 
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
100390-48-5 
Phenyl-pyrrolidin-1-yl-acetic acid 
AC1LDCV5 
AC1Q71S5 
SCHEMBL2227113 
CHEMBL1617035 
CTK3J8893 
KS-00003KJG 
DTXSID10349417 
HMS1692N13 
phenyl(pyrrolidin-1-yl)acetic acid 
1007877-77-1 
2-phenyl-2-(pyrrolidin-1-yl)acetic acid 
MFCD05237231 
SBB011111 
alpha-Phenyl-1-pyrrolidineacetic Acid 
alpha-Phenylpyrrolidine-1-acetic acid 
AKOS000303446 
AKOS016051290 
2-phenyl-2-pyrrolidin-1-ylacetic acid 
FS-1874 
MCULE-5645242216 
NCGC00073085-02 
1-Pyrrolidineaceticacid, a-phenyl- 
AM802823 
ST090137 
DB-017474 
RT-011379 
FT-0673832 
EN300-66864 
M-2167 
F1967-1881 
Z351222172 
|A-Phenyl-1-pyrrolidineacetic Acid 
BAS 07870482 
C12H15NO2 
-Phenyl-1-pyrrolidineacetic Acid 
?-Phenyl-1-pyrrolidineacetic Acid 
CID646078 
a-Phenyl-1-pyrrolidineacetic acid HCl 
(R)-2-phenyl-2-(pyrrolidin-1-yl)acetic acid 
Phenylpyrrolidin-1-ylacetic Acid 
phenyl-pyrrolidin-1-yl-acetyl acid 
1-Pyrrolidineacetic acid, Alpha-phenyl- 
2-phenyl-2-pyrrolidinylacetic acid 
ACMC-20en5j 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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