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1251005-78-3 | Spiro[azetidine-3,3'-[3H]pyrrolo[3,2-b]pyridine]-1-carboxylic acid, 1',2'-dihydro-, 1,1-dimethylethyl ester
CAS No: 1251005-78-3 Catalog No: AG000N5O MDL No:
Product Description
Catalog Number:
AG000N5O
Chemical Name:
Spiro[azetidine-3,3'-[3H]pyrrolo[3,2-b]pyridine]-1-carboxylic acid, 1',2'-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1251005-78-3
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
IUPAC Name:
tert-butyl spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,3'-azetidine]-1'-carboxylate
InChI:
InChI=1S/C14H19N3O2/c1-13(2,3)19-12(18)17-8-14(9-17)7-16-10-5-4-6-15-11(10)14/h4-6,16H,7-9H2,1-3H3
InChI Key:
SYVPRPWBTDBCAN-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CNc1c2nccc1)OC(C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.325g/mol
Monoisotopic Mass:
261.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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