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1002360-09-9 | 1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002360-09-9 Catalog No: AG0001C4 MDL No:MFCD09878775
Product Description
Catalog Number:
AG0001C4
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002360-09-9
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
MDL Number:
MFCD09878775
IUPAC Name:
tert-butyl (3S)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChI Key:
DPJNXCVNNCIYKQ-HNNXBMFYSA-N
SMILES:
O=C(N[C@H]1CCCN(C1)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
334.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.416g/mol
Monoisotopic Mass:
334.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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