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25012-72-0 | 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, ethyl ester
CAS No: 25012-72-0 Catalog No: AG002Q6R MDL No:MFCD00627739
Product Description
Catalog Number:
AG002Q6R
Chemical Name:
3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, ethyl ester
CAS Number:
25012-72-0
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD00627739
IUPAC Name:
ethyl 1-methyl-4-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-3-13-9(12)7-6-10(2)5-4-8(7)11/h7H,3-6H2,1-2H3
InChI Key:
XZTPUNHHNWXMLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(C)CCC1=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^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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