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1260593-54-1 | 1-Piperidinecarboxylic acid, 3-hydroxy-4-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S,4S)-
CAS No: 1260593-54-1 Catalog No: AG000QVV MDL No:MFCD11975906
Product Description
Catalog Number:
AG000QVV
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-4-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S,4S)-
CAS Number:
1260593-54-1
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD11975906
IUPAC Name:
tert-butyl (3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-5-4-8(7-13)9(14)6-12/h8-9,13-14H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key:
ULXATPSIGBJTPI-DTWKUNHWSA-N
SMILES:
OC[C@@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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