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133192-45-7 | 1,2-Piperidinedicarboxylic acid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-rel-
CAS No: 133192-45-7 Catalog No: AG0014DY MDL No:MFCD08062257
Product Description
Catalog Number:
AG0014DY
Chemical Name:
1,2-Piperidinedicarboxylic acid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-rel-
CAS Number:
133192-45-7
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
MDL Number:
MFCD08062257
IUPAC Name:
1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C15H19NO5/c1-20-14(18)13-9-12(17)7-8-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3/t12-,13+/m1/s1
InChI Key:
UZYUNWAMEQIRQH-OLZOCXBDSA-N
SMILES:
COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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