Home Carboxys Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid

Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid

CAS No.:
1217689-78-5
Catalog Number:
AG009G7H
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$250
- +
5g
97%
In Stock USA
United States
$750
- +
10g
97%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG009G7H
Chemical Name:
Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CAS Number:
1217689-78-5
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
MDL Number:
MFCD23701638
IUPAC Name:
(3R,4S)-4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-12(13(10-18)15(19)20)11-7-5-6-8-14(11)22-4/h5-8,12-13H,9-10H2,1-4H3,(H,19,20)/t12-,13+/m1/s1
InChI Key:
HMAXDKCSXKNKKD-OLZOCXBDSA-N
SMILES:
COc1ccccc1[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties