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269396-59-0

269396-59-0 | (R)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid

CAS No: 269396-59-0 Catalog No: AG0038UK MDL No:MFCD01860952

Product Description

Catalog Number:
AG0038UK
Chemical Name:
(R)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid
CAS Number:
269396-59-0
Molecular Formula:
C15H19F2NO4
Molecular Weight:
315.3125
MDL Number:
MFCD01860952
IUPAC Name:
(3R)-4-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChI Key:
XZGBRONJONQTTA-SNVBAGLBSA-N
SMILES:
OC(=O)C[C@@H](Cc1ccc(c(c1)F)F)NC(=O)OC(C)(C)C

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
315.128g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.317g/mol
Monoisotopic Mass:
315.128g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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