Home Carboxys 1,2-Pyrrolidinedicarboxylic acid, 4-(2-methoxy-2-oxoethyl)-,1-(1,1-dimethylethyl) ester, (2S,4R)-

1,2-Pyrrolidinedicarboxylic acid, 4-(2-methoxy-2-oxoethyl)-,1-(1,1-dimethylethyl) ester, (2S,4R)-

CAS No.:
540501-64-2
Catalog Number:
AG00I9NG
Molecular Formula:
C13H21NO6
Molecular Weight:
287.3089
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Product Description
Catalog Number:
AG00I9NG
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-(2-methoxy-2-oxoethyl)-,1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS Number:
540501-64-2
Molecular Formula:
C13H21NO6
Molecular Weight:
287.3089
MDL Number:
MFCD09702335
IUPAC Name:
(2S,4R)-4-(2-methoxy-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-7-8(6-10(15)19-4)5-9(14)11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)/t8-,9+/m1/s1
InChI Key:
ISAGUNGNBDNNFN-BDAKNGLRSA-N
SMILES:
COC(=O)C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
287.137g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.312g/mol
Monoisotopic Mass:
287.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties