Home Carboxys 1,2-Piperidinedicarboxylic acid, 5-oxo-, 2-methyl 1-(phenylmethyl)ester, (S)-

1,2-Piperidinedicarboxylic acid, 5-oxo-, 2-methyl 1-(phenylmethyl)ester, (S)-

CAS No.:
117836-13-2
Catalog Number:
AG00HE9R
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
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Product Description
Catalog Number:
AG00HE9R
Chemical Name:
1,2-Piperidinedicarboxylic acid, 5-oxo-, 2-methyl 1-(phenylmethyl)ester, (S)-
CAS Number:
117836-13-2
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
IUPAC Name:
1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3/t13-/m0/s1
InChI Key:
HFKHJRQXLOFHNO-ZDUSSCGKSA-N
SMILES:
COC(=O)[C@@H]1CCC(=O)CN1C(=O)OCc1ccccc1
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties