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1417743-41-9 | 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1S,3R,5S)-
CAS No: 1417743-41-9 Catalog No: AG001H0W MDL No:MFCD16621712
Product Description
Catalog Number:
AG001H0W
Chemical Name:
2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1S,3R,5S)-
CAS Number:
1417743-41-9
Molecular Formula:
C11H16NO4-
Molecular Weight:
226.2490
MDL Number:
MFCD16621712
IUPAC Name:
(1S,3R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m0/s1
InChI Key:
VXIIZQXOIDYWBS-BIIVOSGPSA-N
SMILES:
O=C(N1[C@H]2C[C@H]2C[C@@H]1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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