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1397001-17-0 | 3-Hydroxy-2-(2-isobutoxy-benzoylamino)-propionic acid
CAS No: 1397001-17-0 Catalog No: AG01F8AB MDL No:
Product Description
Catalog Number:
AG01F8AB
Chemical Name:
3-Hydroxy-2-(2-isobutoxy-benzoylamino)-propionic acid
CAS Number:
1397001-17-0
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
IUPAC Name:
3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
InChI:
InChI=1S/C14H19NO5/c1-9(2)8-20-12-6-4-3-5-10(12)13(17)15-11(7-16)14(18)19/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChI Key:
ANAOXQPNAIEGRU-UHFFFAOYSA-N
SMILES:
OCC(C(=O)O)NC(=O)c1ccccc1OCC(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
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 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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