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

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

CAS No.:
1909288-76-1
Catalog Number:
AG01C6LS
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
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Product Description
Catalog Number:
AG01C6LS
Chemical Name:
rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-imidazol-5-yl)-6-oxopiperidine-3-carboxylic acid, trans
CAS Number:
1909288-76-1
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
MDL Number:
MFCD28968152
IUPAC Name:
(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidine-3-carboxylic acid
InChI:
InChI=1S/C13H17N3O3/c1-15-7-14-6-10(15)12-9(13(18)19)4-5-11(17)16(12)8-2-3-8/h6-9,12H,2-5H2,1H3,(H,18,19)/t9-,12-/m0/s1
InChI Key:
XYGZRKXUXAMXOE-CABZTGNLSA-N
SMILES:
OC(=O)[C@H]1CCC(=O)N([C@@H]1c1cncn1C)C1CC1
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties