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123912-78-7 | 1-Pyrrolidineacetic acid, α-methyl-
CAS No: 123912-78-7 Catalog No: AG000L7U MDL No:MFCD05237232
Product Description
Catalog Number:
AG000L7U
Chemical Name:
1-Pyrrolidineacetic acid, α-methyl-
CAS Number:
123912-78-7
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD05237232
IUPAC Name:
2-pyrrolidin-1-ylpropanoic acid
InChI:
InChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
HAEBOIOLDSOIGG-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)N1CCCC1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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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