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159898-10-9 | 2-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, (2S)-
CAS No: 159898-10-9 Catalog No: AG001RI5 MDL No:MFCD06656439
Product Description
Catalog Number:
AG001RI5
Chemical Name:
2-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, (2S)-
CAS Number:
159898-10-9
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD06656439
IUPAC Name:
2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChI Key:
CKAXJDBTNNEENW-VIFPVBQESA-N
SMILES:
OC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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