(2R)-2-[(2S)-2-Amino-4-methylpentanoyl]-2-methyloxirane trifluoroacetate
Properties
- Molecular formula
- C11H18F3NO4
- Molar mass
- 285.26 g/mol
- Exact mass
- 285.1188 Da
- logP
- 1.35Crippen estimate
- Polar surface area
- 92.9 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
- Stereocentres
- S, Rin SMILES atom order
Identifiers
CAS number
247068-85-5SMILES
CC(C)C[C@H](N)C(=O)[C@@]1(C)CO1.O=C(O)C(F)(F)FInChIKey
OWGGQBZQMQMPBI-DKXTVVGFSA-NInChI
InChI=1S/C9H17NO2.C2HF3O2/c1-6(2)4-7(10)8(11)9(3)5-12-9;3-2(4,5)1(6)7/h6-7H,4-5,10H2,1-3H3;(H,6,7)/t7-,9+;/m0./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-, (2S)-, 2,2,2-trifluoroacetate (1:1)
- 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyloxiranyl]-, (2S)-, trifluoroacetate