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1217737-76-2 | 3-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (3S)-
CAS No: 1217737-76-2 Catalog No: AG0015XL MDL No:MFCD09955433
Product Description
Catalog Number:
AG0015XL
Chemical Name:
3-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (3S)-
CAS Number:
1217737-76-2
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD09955433
IUPAC Name:
tert-butyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-7-5-6-10(9-14)8-11(15)17-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChI Key:
BTYQWISIPUWRJR-JTQLQIEISA-N
SMILES:
COC(=O)C[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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