Home Carboxys 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-

2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-

CAS No.:
214193-11-0
Catalog Number:
AG00I44V
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
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Product Description
Catalog Number:
AG00I44V
Chemical Name:
2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-
CAS Number:
214193-11-0
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD13151935
IUPAC Name:
2-O-tert-butyl 3-O-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
InChI:
InChI=1S/C13H21NO4/c1-5-17-11(15)10-7-8-6-9(8)14(10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9-,10-/m0/s1
InChI Key:
QHWOZJGWXZDMDZ-GUBZILKMSA-N
SMILES:
CCOC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)C2
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties