Home Carbonyls 2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(1H-indol-3-yl)propanoic acid

2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(1H-indol-3-yl)propanoic acid

CAS No.:
1452574-00-3
Catalog Number:
AG01EKI3
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKI3
Chemical Name:
2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(1H-indol-3-yl)propanoic acid
CAS Number:
1452574-00-3
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
MDL Number:
MFCD02682370
IUPAC Name:
3-(1H-indol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19(4)14(15(20)21)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,18H,9H2,1-4H3,(H,20,21)
InChI Key:
XLQCIKDAEIMMEU-UHFFFAOYSA-N
SMILES:
OC(=O)C(N(C(=O)OC(C)(C)C)C)Cc1c[nH]c2c1cccc2
Properties
Complexity:
446  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.158g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.373g/mol
Monoisotopic Mass:
318.158g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties