Home Carboxys 1-[(tert-Butyl)oxycarbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

1-[(tert-Butyl)oxycarbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS No.:
1000415-75-7
Catalog Number:
AG0000NA
Molecular Formula:
C17H22NO5-
Molecular Weight:
320.3603
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95% (HPLC)
1 week
United States
$118
- +
250mg
≥ 95% (HPLC)
1 week
United States
$199
- +
1g
≥ 95% (HPLC)
1 week
United States
$594
- +
5g
≥ 95% (HPLC)
1 week
United States
$2333
- +
Product Description
Catalog Number:
AG0000NA
Chemical Name:
1-[(tert-Butyl)oxycarbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CAS Number:
1000415-75-7
Molecular Formula:
C17H22NO5-
Molecular Weight:
320.3603
MDL Number:
MFCD02089476
IUPAC Name:
(3R,4S)-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14+/m1/s1
InChI Key:
ISEHHCOIDMZBSU-KGLIPLIRSA-N
SMILES:
COc1ccc(cc1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
437  
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