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162167-97-7 | 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS No: 162167-97-7 Catalog No: AG001STG MDL No:MFCD01317792
Product Description
Catalog Number:
AG001STG
Chemical Name:
1-Piperidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
162167-97-7
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD01317792
IUPAC Name:
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8,12H2,1-3H3
InChI Key:
WPWXYQIMXTUMJB-UHFFFAOYSA-N
SMILES:
NCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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