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

(S)-3-((tert-Butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid

CAS No.:
270062-96-9
Catalog Number:
AG003OEZ
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
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Product Description
Catalog Number:
AG003OEZ
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid
CAS Number:
270062-96-9
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
MDL Number:
MFCD01861026
IUPAC Name:
(3S)-4-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C16H23NO4/c1-11-5-7-12(8-6-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key:
KAHQBNUMNOJEPZ-ZDUSSCGKSA-N
SMILES:
OC(=O)C[C@H](Cc1ccc(cc1)C)NC(=O)OC(C)(C)C
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties