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131134-77-5 | 2-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (2S)-
CAS No: 131134-77-5 Catalog No: AG000VLI MDL No:MFCD02179005
Product Description
Catalog Number:
AG000VLI
Chemical Name:
2-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (2S)-
CAS Number:
131134-77-5
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD02179005
IUPAC Name:
tert-butyl (2S)-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-8-6-5-7-10(14)9-11(15)17-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChI Key:
VJNWVGAZYYQKTF-JTQLQIEISA-N
SMILES:
COC(=O)C[C@@H]1CCCCN1C(=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:
1.8
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