Home Carboxys 1-tert-butyl 3-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate

1-tert-butyl 3-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate

CAS No.:
895243-98-8
Catalog Number:
AG00IFR8
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
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Product Description
Catalog Number:
AG00IFR8
Chemical Name:
1-tert-butyl 3-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate
CAS Number:
895243-98-8
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD19687345
IUPAC Name:
1-O-tert-butyl 3-O-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H22N2O4/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4/h8-9H,5-7,13H2,1-4H3/t8-,9-/m1/s1
InChI Key:
AIZZFYPYPULRFL-RKDXNWHRSA-N
SMILES:
CCOC(=O)[C@@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties