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1270497-22-7 | 1-Piperidinecarboxylic acid, 3-amino-4-hydroxy-, phenylmethyl ester, (3R,4R)-
CAS No: 1270497-22-7 Catalog No: AG000WMQ MDL No:MFCD22384725
Product Description
Catalog Number:
AG000WMQ
Chemical Name:
1-Piperidinecarboxylic acid, 3-amino-4-hydroxy-, phenylmethyl ester, (3R,4R)-
CAS Number:
1270497-22-7
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD22384725
IUPAC Name:
benzyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C13H18N2O3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2/t11-,12-/m1/s1
InChI Key:
VKBBZJXAWNVLSE-VXGBXAGGSA-N
SMILES:
O[C@@H]1CCN(C[C@H]1N)C(=O)OCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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