(S)-1,1-Dimethylethyl 3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benz[B]azepin-1-acetate
Properties
- Molecular formula
- C16H22N2O3
- Molar mass
- 290.36 g/mol
- Exact mass
- 290.1630 Da
- Melting point
- 110–111 °C
- logP
- 1.63Crippen estimate
- Polar surface area
- 72.6 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
109010-60-8SMILES
CC(C)(C)OC(=O)CN1C(=O)[C@@H](N)CCc2ccccc21InChIKey
QTEDVVHLTMELTB-LBPRGKRZSA-NInChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-
- 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (S)-
- (S)-1-[(tert-Butyloxycarbonyl)methyl]-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one