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1228566-94-6 | Carbamic acid, N-[(3R)-6-oxo-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1228566-94-6 Catalog No: AG000JM9 MDL No:
Product Description
Catalog Number:
AG000JM9
Chemical Name:
Carbamic acid, N-[(3R)-6-oxo-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1228566-94-6
Molecular Formula:
C10H18N2O3
Molecular Weight:
214.2615
IUPAC Name:
tert-butyl N-[(3S)-6-oxopiperidin-3-yl]carbamate
InChI:
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChI Key:
KBNSUMIBERIFIT-ZETCQYMHSA-N
SMILES:
O=C1CC[C@H](CN1)NC(=O)OC(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.265g/mol
Monoisotopic Mass:
214.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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