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L-Proline,1-(1-oxododecyl)- (58725-39-6)

Identification
Name:L-Proline,1-(1-oxododecyl)-
Synonyms:(S)-N-Dodecanoylproline;N-Dodecanoyl-L-proline;N-Dodecanoylproline;N-Lauroyl-L-proline;
CAS:58725-39-6
EINECS: 261-407-9
Molecular Formula: C17H31NO3
Molecular Weight: 297.4329
InChI: InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21/h15H,2-14H2,1H3,(H,20,21)/t15-/m0/s1
Molecular Structure: (C17H31NO3) (S)-N-Dodecanoylproline;N-Dodecanoyl-L-proline;N-Dodecanoylproline;N-Lauroyl-L-proline;
Properties
Density:1.031 g/cm3
Refractive index:1.492
Specification:

The N-Dodecanoyl-L-proline with its cas register number is 58725-39-6. It also can be called as 1-Dodecanoylpyrrolidine-2-carboxylic acid and the IUPAC Name about this chemical is 1-dodecanoylpyrrolidine-2-carboxylic acid.

Physical properties about N-Dodecanoyl-L-proline are: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 130; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 57.61Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 83.655 cm3; (15)Molar Volume: 288.345 cm3; (16)Polarizability: 33.163x10-24cm3; (17)Surface Tension: 41.792 dyne/cm; (18)Enthalpy of Vaporization: 79.646 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)N1CCCC1C(=O)O
(2)InChI: InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21/h15H,2-14H2,1H3,(H,20,21)
(3)InChIKey: AJWFQCNUNFFTHX-UHFFFAOYSA-N

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