Home Carbonyls (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid

(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid

CAS No.:
270065-89-9
Catalog Number:
AG003OEY
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003OEY
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid
CAS Number:
270065-89-9
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
MDL Number:
MFCD01861079
IUPAC Name:
(3S)-4-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(9-14(19)20)8-11-4-6-12(10-17)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChI Key:
UXSGGQWSQPYJTQ-ZDUSSCGKSA-N
SMILES:
N#Cc1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties