Home Carboxys rac-methyl (3R,4R)-4-methyl-1-[(pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylate, trans

rac-methyl (3R,4R)-4-methyl-1-[(pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylate, trans

CAS No.:
1909294-26-3
Catalog Number:
AG01C4XF
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
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Product Description
Catalog Number:
AG01C4XF
Chemical Name:
rac-methyl (3R,4R)-4-methyl-1-[(pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylate, trans
CAS Number:
1909294-26-3
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD29912992
IUPAC Name:
methyl 4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C12H17N3O2/c1-9-6-15(7-10(9)12(16)17-2)8-11-13-4-3-5-14-11/h3-5,9-10H,6-8H2,1-2H3
InChI Key:
CTCDXBJAGBCIJN-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CN(C[C@H]1C)Cc1ncccn1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties