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309735-43-1 | Benzenepropanoic acid, β-amino-3-hydroxy-, ethyl ester
CAS No: 309735-43-1 Catalog No: AG0031SL MDL No:MFCD02110516
Product Description
Catalog Number:
AG0031SL
Chemical Name:
Benzenepropanoic acid, β-amino-3-hydroxy-, ethyl ester
CAS Number:
309735-43-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD02110516
IUPAC Name:
ethyl 3-amino-3-(3-hydroxyphenyl)propanoate
InChI:
InChI=1S/C11H15NO3/c1-2-15-11(14)7-10(12)8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3
InChI Key:
PDADOBFUFCHAHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1cccc(c1)O)N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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