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1363382-36-8 | 5-Azaspiro[2.5]octane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) ester
CAS No: 1363382-36-8 Catalog No: AG0011PU MDL No:MFCD22566165
Product Description
Catalog Number:
AG0011PU
Chemical Name:
5-Azaspiro[2.5]octane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) ester
CAS Number:
1363382-36-8
Molecular Formula:
C13H20NO4-
Molecular Weight:
254.3022
MDL Number:
MFCD22566165
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-2-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(8-14)7-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChI Key:
JKPWYFGEQHQKIK-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC21CCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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