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16217-15-5 | 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)-
CAS No: 16217-15-5 Catalog No: AG001SUP MDL No:MFCD09608116
Product Description
Catalog Number:
AG001SUP
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)-
CAS Number:
16217-15-5
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
MDL Number:
MFCD09608116
IUPAC Name:
1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChI Key:
XRFKZAWVKVORNI-LBPRGKRZSA-N
SMILES:
COC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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