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888222-12-6 | 1'-(tert-Butoxycarbonyl);spiro[indoline-3,4'-piperidine]-5-carboxylic acid
CAS No: 888222-12-6 Catalog No: AG004AJD MDL No:MFCD12198580
Product Description
Catalog Number:
AG004AJD
Chemical Name:
1'-(tert-Butoxycarbonyl);spiro[indoline-3,4'-piperidine]-5-carboxylic acid
CAS Number:
888222-12-6
Molecular Formula:
C18H24N2O4
Molecular Weight:
332.3942
MDL Number:
MFCD12198580
IUPAC Name:
1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-5-carboxylic acid
InChI:
InChI=1S/C18H24N2O4/c1-17(2,3)24-16(23)20-8-6-18(7-9-20)11-19-14-5-4-12(15(21)22)10-13(14)18/h4-5,10,19H,6-9,11H2,1-3H3,(H,21,22)
InChI Key:
GKEIXWRMVGDCSD-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CNc1c2cc(cc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.4g/mol
Monoisotopic Mass:
332.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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