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1330764-01-6 | 2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 10-oxo-2-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1330764-01-6 Catalog No: AG001475 MDL No:MFCD20230664
Product Description
Catalog Number:
AG001475
Chemical Name:
2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 10-oxo-2-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1330764-01-6
Molecular Formula:
C20H28N2O3
Molecular Weight:
344.4479
MDL Number:
MFCD20230664
IUPAC Name:
tert-butyl 2-benzyl-10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
InChI:
InChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)22-11-9-17(23)20(15-22)10-12-21(14-20)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChI Key:
XNXVCGUUXFLGCB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=O)C2(C1)CCN(C2)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.21g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.455g/mol
Monoisotopic Mass:
344.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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