Substance
- Substance Name: (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid
- Formula: C15H18F3NO4
- Molecular Weight: 333.30 g/mol
- Identifiers:
- casrn: 486460-00-8
- pubchemId: 7146288
- iupacname: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid
- inchi: InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m1/s1
- inchikey: TUAXCHGULMWHIO-SECBINFHSA-N
- csmiles: CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)O
- ismiles: CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1F)F)F)CC(=O)O
- wikidataId: Q72448507
- dsstoxcmpId: DTXCID70378884
- ecnumber: 691-120-8
(R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid
Systems and Datasets
- tetrahydrofuran + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.5b00758 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- methanol + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.5b00758 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- 1-propanol + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.5b00758 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- ethyl acetate + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.5b00758 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- n-butanol + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.5b00758 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- n-butanol + tetrahydrofuran + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.5b00758 (Dataseries: 8, Datapoints: 88, Quantity: Mole fraction)
- ethanol + (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.5b00758 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)