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23009-97-4 | L-Alanine, N-(phenoxyacetyl)- (9CI)
CAS No: 23009-97-4 Catalog No: AG002LV9 MDL No:MFCD08483747
Product Description
Catalog Number:
AG002LV9
Chemical Name:
L-Alanine, N-(phenoxyacetyl)- (9CI)
CAS Number:
23009-97-4
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD08483747
IUPAC Name:
2-[(2-phenoxyacetyl)amino]propanoic acid
InChI:
InChI=1S/C11H13NO4/c1-8(11(14)15)12-10(13)7-16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChI Key:
GKMBJDLBNSHJLJ-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)COc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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