Home Carboxys Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid

Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid

CAS No.:
1427058-29-4
Catalog Number:
AG00ILD0
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$825
- +
Product Description
Catalog Number:
AG00ILD0
Chemical Name:
Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CAS Number:
1427058-29-4
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD31556098
IUPAC Name:
(3S,4R)-4-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-8-6-13-7-12(8,10(15)16)5-9(14)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,15,16)/t8-,12+/m0/s1
InChI Key:
AYESCXPKJQDVGF-QPUJVOFHSA-N
SMILES:
O=C(C[C@]1(CNC[C@@H]1C)C(=O)O)OC(C)(C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties