Home Carboxys rac-(2R,3R)-1-ethyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxylic acid, trans

rac-(2R,3R)-1-ethyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxylic acid, trans

CAS No.:
1969288-47-8
Catalog Number:
AG01B643
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
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Product Description
Catalog Number:
AG01B643
Chemical Name:
rac-(2R,3R)-1-ethyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxylic acid, trans
CAS Number:
1969288-47-8
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD30181802
IUPAC Name:
(2S,3S)-1-ethyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylic acid
InChI:
InChI=1S/C12H17N3O3/c1-3-15-10(16)5-4-8(12(17)18)11(15)9-6-7-13-14(9)2/h6-8,11H,3-5H2,1-2H3,(H,17,18)/t8-,11-/m0/s1
InChI Key:
TXJDAAXTYICVPI-KWQFWETISA-N
SMILES:
CCN1C(=O)CC[C@@H]([C@H]1c1ccnn1C)C(=O)O
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties