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1155952-84-3 | 1H-Indole-1-carboxylic acid, 5-amino-2,3-dihydro-2-methyl-, 1,1-dimethylethyl ester
CAS No: 1155952-84-3 Catalog No: AG000G7O MDL No:
Product Description
Catalog Number:
AG000G7O
Chemical Name:
1H-Indole-1-carboxylic acid, 5-amino-2,3-dihydro-2-methyl-, 1,1-dimethylethyl ester
CAS Number:
1155952-84-3
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
tert-butyl 5-amino-2-methyl-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-9-7-10-8-11(15)5-6-12(10)16(9)13(17)18-14(2,3)4/h5-6,8-9H,7,15H2,1-4H3
InChI Key:
YOELJPDARJMOOO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)CC(N2C(=O)OC(C)(C)C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Azaadamantane benzamide 5-HT4 agonists: gastrointestinal prokinetic SC-54750. | Bioorganic & medicinal chemistry letters 20041115 |
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