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234124-30-2 | 4,7-Diazaspiro[2.5]octane-8-carboxylic acid, 5-oxo-4-pentyl-, methyl ester
CAS No: 234124-30-2 Catalog No: AG002N5K MDL No:
Product Description
Catalog Number:
AG002N5K
Chemical Name:
4,7-Diazaspiro[2.5]octane-8-carboxylic acid, 5-oxo-4-pentyl-, methyl ester
CAS Number:
234124-30-2
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
IUPAC Name:
methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate
InChI:
InChI=1S/C13H22N2O3/c1-3-4-5-8-15-10(16)9-14-11(12(17)18-2)13(15)6-7-13/h11,14H,3-9H2,1-2H3
InChI Key:
GZFLTNAQVCCANG-UHFFFAOYSA-N
SMILES:
CCCCCN1C(=O)CNC(C21CC2)C(=O)OC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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