Home Aminos rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one, trans

rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one, trans

CAS No.:
1969287-53-3
Catalog Number:
AG01B5I9
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
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Product Description
Catalog Number:
AG01B5I9
Chemical Name:
rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one, trans
CAS Number:
1969287-53-3
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
MDL Number:
MFCD28118211
IUPAC Name:
(4R,5R)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C12H20N4O2/c1-15-8-10(7-14-15)12-9(6-13)5-11(17)16(12)3-4-18-2/h7-9,12H,3-6,13H2,1-2H3/t9-,12-/m1/s1
InChI Key:
LQFRKNHPMOTZNZ-BXKDBHETSA-N
SMILES:
COCCN1C(=O)C[C@@H]([C@H]1c1cnn(c1)C)CN
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
252.159g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.318g/mol
Monoisotopic Mass:
252.159g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties