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1171124-68-7 | 1-Piperidinecarboxylic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
CAS No: 1171124-68-7 Catalog No: AG000DR9 MDL No:MFCD22415234
Product Description
Catalog Number:
AG000DR9
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
CAS Number:
1171124-68-7
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
MDL Number:
MFCD22415234
IUPAC Name:
tert-butyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate
InChI:
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChI Key:
QNGHCFVWYKWWMU-BDAKNGLRSA-N
SMILES:
CO[C@@H]1CN(CC[C@@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.308g/mol
Monoisotopic Mass:
230.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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