Basic Information | Post buying leads | Suppliers |
The 3-(Cyclopentylcarbamoyl)propanoic acid, with the CAS registry number 541537-57-9, is also known as Butanoic acid, 4-(cyclopentylamino)-4-oxo-. This chemical's molecular formula is C9H15NO3 and molecular weight is 185.221. What's more, its systematic name is 4-(Cyclopentylamino)-4-oxobutanoic acid.
Physical properties about 3-(Cyclopentylcarbamoyl)propanoic acid are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.45; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 47.06 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 18.65×10-24 cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 216.5 °C; (20)Enthalpy of Vaporization: 75.71 kJ/mol; (21)Boiling Point: 434.3 °C at 760 mmHg; (22)Vapour Pressure: 9.27E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCC1)CCC(=O)O
(2) InChI: InChI=1/C9H15NO3/c11-8(5-6-9(12)13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)
(3) InChIKey: NUNSFUWCFOMRJP-UHFFFAOYAY