Home Carbonyls 2-{2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinolin-5-yl}acetic acid

2-{2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinolin-5-yl}acetic acid

CAS No.:
2044927-27-5
Catalog Number:
AG01BVNL
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BVNL
Chemical Name:
2-{2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinolin-5-yl}acetic acid
CAS Number:
2044927-27-5
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD30486592
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-8-7-13-11(9-14(18)19)5-4-6-12(13)10-17/h4-6H,7-10H2,1-3H3,(H,18,19)
InChI Key:
QPPRAVSJCRRLGY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc2c1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties