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1192355-14-8 | Spiro[2H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylic acid, 7-amino-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1192355-14-8 Catalog No: AG000IF3 MDL No:MFCD13195398
Product Description
Catalog Number:
AG000IF3
Chemical Name:
Spiro[2H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylic acid, 7-amino-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1192355-14-8
Molecular Formula:
C17H23N3O4
Molecular Weight:
333.3822
MDL Number:
MFCD13195398
IUPAC Name:
tert-butyl 7-amino-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H23N3O4/c1-16(2,3)24-15(22)20-8-6-17(7-9-20)19-14(21)12-5-4-11(18)10-13(12)23-17/h4-5,10H,6-9,18H2,1-3H3,(H,19,21)
InChI Key:
QMZKSYPIWAYGNG-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)OC1(NC2=O)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.388g/mol
Monoisotopic Mass:
333.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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