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2637-76-5 | 3-Piperidinecarboxylic acid, 1-acetyl-
CAS No: 2637-76-5 Catalog No: AG002SWP MDL No:MFCD07348751
Product Description
Catalog Number:
AG002SWP
Chemical Name:
3-Piperidinecarboxylic acid, 1-acetyl-
CAS Number:
2637-76-5
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD07348751
IUPAC Name:
1-acetylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChI Key:
ODPIDTOGVIDBLN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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