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Home Carbonyls 3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid

3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid

CAS No.:
96363-20-1
Catalog Number:
AG003I6O
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$94
- +
1g
97%
1 week
United States
$149
- +
5g
97%
1 week
United States
$448
- +
Product Description
Catalog Number:
AG003I6O
Chemical Name:
3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid
CAS Number:
96363-20-1
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
MDL Number:
MFCD02090694
IUPAC Name:
3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
InChI Key:
OPAAZWPTEYZZIW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
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
Properties