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1021284-59-2 | 1-Piperidinecarboxylic acid, 4-[(2-aminobenzoyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1021284-59-2 Catalog No: AG0006OT MDL No:MFCD08690356
Product Description
Catalog Number:
AG0006OT
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(2-aminobenzoyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1021284-59-2
Molecular Formula:
C17H25N3O3
Molecular Weight:
319.3987
MDL Number:
MFCD08690356
IUPAC Name:
tert-butyl 4-[(2-aminobenzoyl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-10-8-12(9-11-20)19-15(21)13-6-4-5-7-14(13)18/h4-7,12H,8-11,18H2,1-3H3,(H,19,21)
InChI Key:
ONNHWRRTROXKKH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC(=O)c1ccccc1N)OC(C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.405g/mol
Monoisotopic Mass:
319.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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