Name: Name:Benzenepropanoic acid, β-amino-3-hydroxy-, ethyl ester
Brand: Angene
SKU: AG0031SL
Rating: 90 (10 reviews)

Benzenepropanoic acid, β-amino-3-hydroxy-, ethyl ester

CAS No.:

309735-43-1

Catalog Number:

AG0031SL

Molecular Formula:

C11H15NO3

Molecular Weight:

209.2417

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.245g/mol

Monoisotopic Mass:

209.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties