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155600-89-8 | 2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1-oxo-2-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 155600-89-8 Catalog No: AG001O14 MDL No:MFCD14585487
Product Description
Catalog Number:
AG001O14
Chemical Name:
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1-oxo-2-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
155600-89-8
Molecular Formula:
C19H26N2O3
Molecular Weight:
330.4213
MDL Number:
MFCD14585487
IUPAC Name:
tert-butyl 2-benzyl-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)20-11-9-19(10-12-20)14-21(16(19)22)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChI Key:
GGDGRVBFSAZNLK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CN(C2=O)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.428g/mol
Monoisotopic Mass:
330.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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