Name: (-)-(1S,4R)-N-FMOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID
SKU: 220497-64-3

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Basic Information

Molecular Structure:
CAS No.:	220497-64-3
Name:	(-)-(1S,4R)-N-FMOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID

Formula:	C₂₁H₁₉NO₄
Molecular Weight:	349.38
Synonyms:	(1S,4R)-N-FMOC-1-Aminocyclopent-2-ene-4-carboxylic acid; (-)-(1S,4R)-N-Fmoc-4-aminocyclopent-2-enecarboxylic acid; (1S,4R)-(-)-4-(Fmoc-amino)-2-cyclopentene-1-carboxylic acid; (1S,4R)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclopent-2-enecarboxylic acid;
Density:	1.34g/cm³
Melting Point:	229.8 °C
Boiling Point:	586.1 °C at 760 mmHg
Flash Point:	308.2 °C
Appearance:	white powder
Safety:	24/25
PSA:	75.63000
LogP:	3.94530

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Specification

The 2-Cyclopentene-1-carboxylicacid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (1S,4R)-, with CAS registry number 220497-64-3, belongs to the following product categories: (1)FMOC; (2)Unusual amino acids; (3)API intermediates; (4)Alicyclic Amino Acids; (5)Peptide Synthesis; (6)Unnatural Amino Acid Derivatives. It has the systematic name of (1S,4R)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid. This chemical is a kind of white powder. It should be stored at the temperature of 2-8°C. When use this chemical, avoid contact with skin and eyes.

Physical properties of 2-Cyclopentene-1-carboxylicacid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (1S,4R)-: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 14.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 98.56; (8)ACD/KOC (pH 7.4): 1.66; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 96.04 cm³; (15)Molar Volume: 258.9 cm³; (16)Polarizability: 38.07×10^-24cm³; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 308.2 °C; (20)Enthalpy of Vaporization: 92.07 kJ/mol; (21)Boiling Point: 586.1 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]4\C=C/[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C4
(2)InChI: InChI=1/C21H19NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13-14,19H,11-12H2,(H,22,25)(H,23,24)/t13-,14+/m1/s1
(3)InChIKey: IWMUNNGMJRKNSV-KGLIPLIRBE
(4)Std. InChI: InChI=1S/C21H19NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13-14,19H,11-12H2,(H,22,25)(H,23,24)/t13-,14+/m1/s1
(5)Std. InChIKey: IWMUNNGMJRKNSV-KGLIPLIRSA-N