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99362-37-5 | N-METHYL-N-(PYRIDIN-3-YLMETHYL)GLYCINE
CAS No: 99362-37-5 Catalog No: AG005SDP MDL No:MFCD07643171
Product Description
Catalog Number:
AG005SDP
Chemical Name:
N-METHYL-N-(PYRIDIN-3-YLMETHYL)GLYCINE
CAS Number:
99362-37-5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD07643171
IUPAC Name:
2-[methyl(pyridin-3-ylmethyl)amino]acetic acid
InChI:
InChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChI Key:
SJHDAHRJTPYHED-UHFFFAOYSA-N
SMILES:
CN(Cc1cccnc1)CC(=O)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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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