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1255664-48-2 | 2-Piperidinecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 1255664-48-2 Catalog No: AG000NVV MDL No:MFCD22200568
Product Description
Catalog Number:
AG000NVV
Chemical Name:
2-Piperidinecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1255664-48-2
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
MDL Number:
MFCD22200568
IUPAC Name:
methyl (2S,4S)-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylate
InChI:
InChI=1S/C15H20N2O4/c1-20-14(18)13-9-12(7-8-16-13)17-15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChI Key:
VLASEBQWDFQNFF-STQMWFEESA-N
SMILES:
COC(=O)C1NCCC(C1)NC(=O)OCc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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