Home Carboxys methyl (2S,4S)-4-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxylate

CAS No.:
2031242-55-2
Catalog Number:
AG01BUQ4
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
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Product Description
Catalog Number:
AG01BUQ4
Chemical Name:
methyl (2S,4S)-4-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxylate
CAS Number:
2031242-55-2
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
MDL Number:
MFCD30345376
IUPAC Name:
methyl 4-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxylate
InChI:
InChI=1S/C9H13N3O4/c1-16-8(14)6-2-5(3-10-6)12-7(13)4-11-9(12)15/h5-6,10H,2-4H2,1H3,(H,11,15)
InChI Key:
HIUAMRCJNBNXGN-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H]1NC[C@H](C1)N1C(=O)CNC1=O
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties