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1260602-67-2 | 1,2-Piperidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS No: 1260602-67-2 Catalog No: AG000QVG MDL No:MFCD13189899
Product Description
Catalog Number:
AG000QVG
Chemical Name:
1,2-Piperidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS Number:
1260602-67-2
Molecular Formula:
C11H17FNO4-
Molecular Weight:
246.2554
MDL Number:
MFCD13189899
IUPAC Name:
(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
InChI:
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(12)6-8(13)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
InChI Key:
HTEKKPRKMGEXAE-YUMQZZPRSA-N
SMILES:
F[C@H]1CCN([C@@H](C1)C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.266g/mol
Monoisotopic Mass:
247.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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