InChI: | InChI=1S/C21H21NO4/c23-20(24)19(11-13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t19-/m0/s1 |
Specification: |
The CAS register number of Fmoc-L-Cyclopropylalanine is 214750-76-2. It also can be called as (2R)-3-Cyclopropyl-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid and the IUPAC name about this chemical is (2S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. The molecular formula about this chemical is C21H21NO4 and the molecular weight is 351.40. It belongs to the following product categories, such as Amino Acids; Unusual amino acids; Amino Acid Derivatives; a-amino and so on.
Physical properties about Fmoc-L-Cyclopropylalanine are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 13.11; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 58.24; (7)ACD/KOC (pH 7.4): 1.83; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 95.76 cm3; (14)Molar Volume: 271.9 cm3; (15)Polarizability: 37.96x10-24cm3; (16)Surface Tension: 59.2 dyne/cm; (17)Enthalpy of Vaporization: 91.73 kJ/mol; (18)Boiling Point: 583.5 °C at 760 mmHg; (19)Vapour Pressure: 1.85E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N[C@@H](C(=O)O)CC4CC4
(2)InChI: InChI=1/C21H21NO4/c23-20(24)19(11-13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t19-/m1/s1
(3)InChIKey: DRGUEWQZLABTFG-LJQANCHMBB
(4)Std. InChI: InChI=1S/C21H21NO4/c23-20(24)19(11-13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t19-/m1/s1
(5)Std. InChIKey: DRGUEWQZLABTFG-LJQANCHMSA-N
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