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147611-04-9 | 7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, phenylMethyl ester
CAS No: 147611-04-9 Catalog No: AG001F14 MDL No:MFCD22384473
Product Description
Catalog Number:
AG001F14
Chemical Name:
7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, phenylMethyl ester
CAS Number:
147611-04-9
Molecular Formula:
C21H30N2O4
Molecular Weight:
374.4739
MDL Number:
MFCD22384473
IUPAC Name:
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C21H30N2O4/c1-20(2,3)27-18(24)22-17-13-21(14-17)9-11-23(12-10-21)19(25)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,24)
InChI Key:
FMHNRYDVEZHYDR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC2(C1)CCN(CC2)C(=O)OCc1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.221g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.481g/mol
Monoisotopic Mass:
374.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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