Home Carboxys Ethyl (1R,2R)-rel-2-(Boc-aminomethyl)-cyclopropanecarboxylate

Ethyl (1R,2R)-rel-2-(Boc-aminomethyl)-cyclopropanecarboxylate

CAS No.:
946598-53-4
Catalog Number:
AG00IIFB
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
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Product Description
Catalog Number:
AG00IIFB
Chemical Name:
Ethyl (1R,2R)-rel-2-(Boc-aminomethyl)-cyclopropanecarboxylate
CAS Number:
946598-53-4
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD23106044
IUPAC Name:
ethyl (1R,2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate
InChI:
InChI=1S/C12H21NO4/c1-5-16-10(14)9-6-8(9)7-13-11(15)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1
InChI Key:
XDJBBBVBSFWTGE-DTWKUNHWSA-N
SMILES:
CCOC(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties