7'-Aminospiro[cyclopropane-1,4'(1'H)-isoquinoline]-2'(3'H)carboxylic Acid 1,1-Dimethyl Ester - CAS 561297-88-9
Catalog: |
BB074493 |
Product Name: |
7'-Aminospiro[cyclopropane-1,4'(1'H)-isoquinoline]-2'(3'H)carboxylic Acid 1,1-Dimethyl Ester |
CAS: |
561297-88-9 |
Synonyms: |
tert-butyl 7'-amino-1'H-spiro[cyclopropane-1,4'-isoquinoline]-2'(3'H)-carboxylate; 7'-Aminospiro[cyclopropane-1,4'(1'H)-isoquinoline]-2'(3'H)carboxylic Acid 1,1-Dimethyl Ester; tert-butyl 7-aminospiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carboxylate |
IUPAC Name: | tert-butyl 7-aminospiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carboxylate |
Molecular Weight: | 274.36 |
Molecular Formula: | C16H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)N)C3(C1)CC3 |
InChI: | InChI=1S/C16H22N2O2/c1-15(2,3)20-14(19)18-9-11-8-12(17)4-5-13(11)16(10-18)6-7-16/h4-5,8H,6-7,9-10,17H2,1-3H3 |
InChI Key: | BFWOXWLQVUGAMG-UHFFFAOYSA-N |
Complexity: | 398 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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