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1201333-11-0 | 4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-hydroxy-, methyl ester
CAS No: 1201333-11-0 Catalog No: AG000QDD MDL No:
Product Description
Catalog Number:
AG000QDD
Chemical Name:
4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-hydroxy-, methyl ester
CAS Number:
1201333-11-0
Molecular Formula:
C14H25NO5
Molecular Weight:
287.3520
IUPAC Name:
tert-butyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-7-5-10(6-8-15)11(16)9-12(17)19-4/h10-11,16H,5-9H2,1-4H3
InChI Key:
FDRFPIHOSMHBMN-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.356g/mol
Monoisotopic Mass:
287.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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