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20839-78-5 | Glycine, N-[(4-methoxyphenyl)methyl]-
CAS No: 20839-78-5 Catalog No: AG002JNR MDL No:MFCD03450579
Product Description
Catalog Number:
AG002JNR
Chemical Name:
Glycine, N-[(4-methoxyphenyl)methyl]-
CAS Number:
20839-78-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD03450579
IUPAC Name:
2-[(4-methoxyphenyl)methylamino]acetic acid
InChI:
InChI=1S/C10H13NO3/c1-14-9-4-2-8(3-5-9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI Key:
QEOHOHDWOLGNLN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNCC(=O)O
NSC Number:
184721
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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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