The 3-Pyrrolidin-1-ylpropionic acid, with CAS registry number 76234-38-3, has the systematic name of 3-(pyrrolidin-1-yl)propanoic acid. And it is also called 1-Pyrrolidinepropanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 37.53 cm3; (15)Molar Volume: 128.4 cm3; (16)Polarizability: 14.88×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Enthalpy of Vaporization: 55.21 kJ/mol; (19)Vapour Pressure: 0.00297 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCN1CCCC1
(2)InChI: InChI=1/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
(3)InChIKey: BRSKDXVJFXXUKX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
(5)Std. InChIKey: BRSKDXVJFXXUKX-UHFFFAOYSA-N
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