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1363380-56-6 | 2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 6-amino-, 2-(1,1-dimethylethyl) ester
CAS No: 1363380-56-6 Catalog No: AG0011NU MDL No:MFCD20926180
Product Description
Catalog Number:
AG0011NU
Chemical Name:
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 6-amino-, 2-(1,1-dimethylethyl) ester
CAS Number:
1363380-56-6
Molecular Formula:
C12H19N2O4-
Molecular Weight:
255.2903
MDL Number:
MFCD20926180
IUPAC Name:
6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C12H20N2O4/c1-10(2,3)18-9(17)14-6-11(7-14)4-12(13,5-11)8(15)16/h4-7,13H2,1-3H3,(H,15,16)
InChI Key:
VUQSXDJGTIHNNW-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CC(C2)(N)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.302g/mol
Monoisotopic Mass:
256.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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