Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

CAS No.:
129048-72-2
Catalog Number:
AG01EKFW
Molecular Formula:
C15H21NO6
Molecular Weight:
311.3303
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKFW
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CAS Number:
129048-72-2
Molecular Formula:
C15H21NO6
Molecular Weight:
311.3303
MDL Number:
MFCD02682282
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO6/c1-15(2,3)22-14(20)16-10(13(18)19)7-9-5-6-11(17)12(8-9)21-4/h5-6,8,10,17H,7H2,1-4H3,(H,16,20)(H,18,19)
InChI Key:
DVQDNEXWFJBUAV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)CC(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.137g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
311.334g/mol
Monoisotopic Mass:
311.137g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties