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1009376-54-8 | 1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,4S)-rel-
CAS No: 1009376-54-8 Catalog No: AG00038M MDL No:
Product Description
Catalog Number:
AG00038M
Chemical Name:
1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,4S)-rel-
CAS Number:
1009376-54-8
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
1-O-tert-butyl 3-O-methyl (3S,4R)-4-methylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C13H23NO4/c1-9-6-7-14(8-10(9)11(15)17-5)12(16)18-13(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChI Key:
CUBAIJGHSDICOZ-NXEZZACHSA-N
SMILES:
COC(=O)[C@H]1CN(CC[C@@H]1C)C(=O)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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