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100390-48-5 | 1-Pyrrolidineacetic acid, α-phenyl-
CAS No: 100390-48-5 Catalog No: AG0001VJ MDL No:MFCD05237231
Product Description
Catalog Number:
AG0001VJ
Chemical Name:
1-Pyrrolidineacetic acid, α-phenyl-
CAS Number:
100390-48-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD05237231
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
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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