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144527-34-4 | 1,2-Pyrrolidinedicarboxylic acid, 2-methyl-4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (R)- (9CI)
CAS No: 144527-34-4 Catalog No: AG001JP9 MDL No:
Product Description
Catalog Number:
AG001JP9
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-methyl-4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (R)- (9CI)
CAS Number:
144527-34-4
Molecular Formula:
C12H19NO5
Molecular Weight:
257.2830
IUPAC Name:
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H17NO5/c1-10(2,3)17-9(16)12-6-7(13)5-11(12,4)8(14)15/h5-6H2,1-4H3,(H,14,15)/t11-/m1/s1
InChI Key:
NJXPSKGEDSTYJA-LLVKDONJSA-N
SMILES:
COC(=O)[C@@]1(C)CC(=O)CN1C(=O)OC(C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.259g/mol
Monoisotopic Mass:
243.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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